USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 816 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 86 TYR OH : rot 180:sc= 0.187 USER MOD Set 1.2: A 90 GLN : amide:sc= 0.0988 K(o=0.29,f=-1.2) USER MOD Set 2.1: A 29 TYR OH : rot 174:sc= 1.21 USER MOD Set 2.2: A 97 THR OG1 : rot 137:sc= 0.731 USER MOD Single : A 9 SER OG : rot 180:sc= -0.376 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.832 X(o=-0.83,f=-0.65) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -151:sc= -0.223 (180deg=-0.27) USER MOD Single : A 33 HIS : no HD1:sc= -1.89! C(o=-1.9!,f=-8.2!) USER MOD Single : A 38 SER OG : rot -69:sc=-0.00413 USER MOD Single : A 47 ASN : amide:sc= -0.0985 K(o=-0.099,f=-3.3!) USER MOD Single : A 53 THR OG1 : rot -15:sc= 0.83 USER MOD Single : A 54 SER OG : rot 180:sc= -0.106 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.615 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= -0.0904 K(o=-0.09,f=-1.7!) USER MOD Single : A 67 SER OG : rot 75:sc= 1.33 USER MOD Single : A 69 GLN : amide:sc= -0.0299 K(o=-0.03,f=-1.4) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0.295 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.785 USER MOD Single : A 80 ASN : amide:sc= -3.47! C(o=-3.5!,f=-3.3!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot -160:sc= -0.353 USER MOD Single : A 89 HIS : no HE2:sc= -0.0111 K(o=0.73,f=-4.4!) USER MOD Single : A 95 LYS NZ :NH3+ -133:sc= 0.925 (180deg=0.0456) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 63 N VAL A 7 4.124 -6.079 -13.736 1.00 63.23 N ATOM 64 CA VAL A 7 3.129 -5.599 -14.688 1.00 1.14 C ATOM 65 C VAL A 7 2.151 -4.638 -14.023 1.00 42.20 C ATOM 66 O VAL A 7 1.748 -3.635 -14.615 1.00 1.01 O ATOM 67 CB VAL A 7 2.342 -6.765 -15.312 1.00 53.14 C ATOM 68 CG1 VAL A 7 1.313 -6.246 -16.305 1.00 24.43 C ATOM 69 CG2 VAL A 7 3.290 -7.750 -15.981 1.00 63.13 C ATOM 0 HA VAL A 7 3.671 -5.074 -15.475 1.00 1.14 H new ATOM 0 HB VAL A 7 1.812 -7.288 -14.516 1.00 53.14 H new ATOM 0 HG11 VAL A 7 0.767 -7.085 -16.735 1.00 24.43 H new ATOM 0 HG12 VAL A 7 0.615 -5.583 -15.793 1.00 24.43 H new ATOM 0 HG13 VAL A 7 1.819 -5.697 -17.099 1.00 24.43 H new ATOM 0 HG21 VAL A 7 2.717 -8.568 -16.417 1.00 63.13 H new ATOM 0 HG22 VAL A 7 3.850 -7.241 -16.766 1.00 63.13 H new ATOM 0 HG23 VAL A 7 3.984 -8.148 -15.240 1.00 63.13 H new ATOM 79 N LEU A 8 1.771 -4.949 -12.788 1.00 34.23 N ATOM 80 CA LEU A 8 0.839 -4.113 -12.040 1.00 73.54 C ATOM 81 C LEU A 8 1.524 -3.478 -10.835 1.00 63.04 C ATOM 82 O LEU A 8 2.291 -4.133 -10.129 1.00 65.52 O ATOM 83 CB LEU A 8 -0.364 -4.940 -11.582 1.00 21.31 C ATOM 84 CG LEU A 8 -1.399 -5.271 -12.658 1.00 64.24 C ATOM 85 CD1 LEU A 8 -2.443 -6.234 -12.115 1.00 41.51 C ATOM 86 CD2 LEU A 8 -2.060 -4.000 -13.171 1.00 31.10 C ATOM 0 H LEU A 8 2.094 -5.775 -12.284 1.00 34.23 H new ATOM 0 HA LEU A 8 0.494 -3.316 -12.699 1.00 73.54 H new ATOM 0 HB2 LEU A 8 0.003 -5.875 -11.159 1.00 21.31 H new ATOM 0 HB3 LEU A 8 -0.865 -4.401 -10.778 1.00 21.31 H new ATOM 0 HG LEU A 8 -0.888 -5.753 -13.491 1.00 64.24 H new ATOM 0 HD11 LEU A 8 -3.171 -6.458 -12.894 1.00 41.51 H new ATOM 0 HD12 LEU A 8 -1.957 -7.156 -11.796 1.00 41.51 H new ATOM 0 HD13 LEU A 8 -2.950 -5.779 -11.264 1.00 41.51 H new ATOM 0 HD21 LEU A 8 -2.794 -4.255 -13.936 1.00 31.10 H new ATOM 0 HD22 LEU A 8 -2.558 -3.490 -12.346 1.00 31.10 H new ATOM 0 HD23 LEU A 8 -1.303 -3.343 -13.599 1.00 31.10 H new ATOM 98 N SER A 9 1.238 -2.201 -10.603 1.00 3.33 N ATOM 99 CA SER A 9 1.829 -1.478 -9.482 1.00 63.41 C ATOM 100 C SER A 9 1.095 -1.796 -8.183 1.00 41.31 C ATOM 101 O SER A 9 0.245 -2.685 -8.139 1.00 62.31 O ATOM 102 CB SER A 9 1.793 0.030 -9.745 1.00 54.25 C ATOM 103 OG SER A 9 0.624 0.615 -9.196 1.00 74.32 O ATOM 0 H SER A 9 0.602 -1.646 -11.175 1.00 3.33 H new ATOM 0 HA SER A 9 2.866 -1.798 -9.381 1.00 63.41 H new ATOM 0 HB2 SER A 9 2.676 0.499 -9.312 1.00 54.25 H new ATOM 0 HB3 SER A 9 1.827 0.216 -10.818 1.00 54.25 H new ATOM 0 HG SER A 9 0.625 1.578 -9.376 1.00 74.32 H new ATOM 109 N GLY A 10 1.432 -1.064 -7.125 1.00 73.24 N ATOM 110 CA GLY A 10 0.797 -1.283 -5.839 1.00 61.25 C ATOM 111 C GLY A 10 -0.697 -1.034 -5.881 1.00 43.04 C ATOM 112 O GLY A 10 -1.487 -1.885 -5.471 1.00 34.51 O ATOM 0 H GLY A 10 2.133 -0.323 -7.136 1.00 73.24 H new ATOM 0 HA2 GLY A 10 0.983 -2.307 -5.515 1.00 61.25 H new ATOM 0 HA3 GLY A 10 1.251 -0.627 -5.097 1.00 61.25 H new ATOM 116 N GLY A 11 -1.088 0.137 -6.374 1.00 63.53 N ATOM 117 CA GLY A 11 -2.496 0.476 -6.455 1.00 72.20 C ATOM 118 C GLY A 11 -3.259 -0.438 -7.394 1.00 71.40 C ATOM 119 O GLY A 11 -4.425 -0.750 -7.155 1.00 0.34 O ATOM 0 H GLY A 11 -0.454 0.857 -6.719 1.00 63.53 H new ATOM 0 HA2 GLY A 11 -2.938 0.421 -5.460 1.00 72.20 H new ATOM 0 HA3 GLY A 11 -2.600 1.507 -6.793 1.00 72.20 H new ATOM 123 N GLU A 12 -2.599 -0.866 -8.467 1.00 4.00 N ATOM 124 CA GLU A 12 -3.224 -1.746 -9.446 1.00 12.51 C ATOM 125 C GLU A 12 -3.352 -3.166 -8.898 1.00 21.53 C ATOM 126 O GLU A 12 -4.331 -3.861 -9.167 1.00 53.03 O ATOM 127 CB GLU A 12 -2.413 -1.760 -10.743 1.00 75.51 C ATOM 128 CG GLU A 12 -1.994 -0.377 -11.213 1.00 61.31 C ATOM 129 CD GLU A 12 -1.346 -0.398 -12.584 1.00 53.33 C ATOM 130 OE1 GLU A 12 -0.125 -0.649 -12.659 1.00 45.45 O ATOM 131 OE2 GLU A 12 -2.059 -0.164 -13.581 1.00 55.34 O ATOM 0 H GLU A 12 -1.633 -0.617 -8.679 1.00 4.00 H new ATOM 0 HA GLU A 12 -4.223 -1.364 -9.655 1.00 12.51 H new ATOM 0 HB2 GLU A 12 -1.522 -2.371 -10.598 1.00 75.51 H new ATOM 0 HB3 GLU A 12 -3.003 -2.237 -11.525 1.00 75.51 H new ATOM 0 HG2 GLU A 12 -2.868 0.274 -11.238 1.00 61.31 H new ATOM 0 HG3 GLU A 12 -1.297 0.052 -10.493 1.00 61.31 H new ATOM 138 N LEU A 13 -2.354 -3.588 -8.130 1.00 64.41 N ATOM 139 CA LEU A 13 -2.352 -4.923 -7.543 1.00 54.43 C ATOM 140 C LEU A 13 -3.584 -5.136 -6.670 1.00 61.03 C ATOM 141 O LEU A 13 -4.264 -6.156 -6.776 1.00 55.45 O ATOM 142 CB LEU A 13 -1.083 -5.138 -6.717 1.00 11.21 C ATOM 143 CG LEU A 13 -0.794 -6.579 -6.293 1.00 23.32 C ATOM 144 CD1 LEU A 13 -0.417 -7.425 -7.500 1.00 65.31 C ATOM 145 CD2 LEU A 13 0.312 -6.614 -5.248 1.00 13.53 C ATOM 0 H LEU A 13 -1.536 -3.025 -7.899 1.00 64.41 H new ATOM 0 HA LEU A 13 -2.375 -5.650 -8.355 1.00 54.43 H new ATOM 0 HB2 LEU A 13 -0.233 -4.772 -7.293 1.00 11.21 H new ATOM 0 HB3 LEU A 13 -1.149 -4.523 -5.820 1.00 11.21 H new ATOM 0 HG LEU A 13 -1.698 -6.997 -5.851 1.00 23.32 H new ATOM 0 HD11 LEU A 13 -0.215 -8.447 -7.179 1.00 65.31 H new ATOM 0 HD12 LEU A 13 -1.239 -7.425 -8.215 1.00 65.31 H new ATOM 0 HD13 LEU A 13 0.474 -7.010 -7.971 1.00 65.31 H new ATOM 0 HD21 LEU A 13 0.505 -7.647 -4.957 1.00 13.53 H new ATOM 0 HD22 LEU A 13 1.220 -6.178 -5.665 1.00 13.53 H new ATOM 0 HD23 LEU A 13 0.004 -6.042 -4.373 1.00 13.53 H new ATOM 157 N ASP A 14 -3.866 -4.166 -5.807 1.00 15.00 N ATOM 158 CA ASP A 14 -5.019 -4.245 -4.917 1.00 24.15 C ATOM 159 C ASP A 14 -6.298 -4.508 -5.705 1.00 5.12 C ATOM 160 O ASP A 14 -7.052 -5.431 -5.397 1.00 4.14 O ATOM 161 CB ASP A 14 -5.157 -2.952 -4.112 1.00 41.21 C ATOM 162 CG ASP A 14 -4.430 -3.016 -2.783 1.00 2.42 C ATOM 163 OD1 ASP A 14 -3.200 -3.233 -2.791 1.00 61.03 O ATOM 164 OD2 ASP A 14 -5.090 -2.850 -1.736 1.00 51.50 O ATOM 0 H ASP A 14 -3.312 -3.316 -5.705 1.00 15.00 H new ATOM 0 HA ASP A 14 -4.861 -5.077 -4.230 1.00 24.15 H new ATOM 0 HB2 ASP A 14 -4.765 -2.120 -4.697 1.00 41.21 H new ATOM 0 HB3 ASP A 14 -6.213 -2.748 -3.935 1.00 41.21 H new ATOM 169 N LYS A 15 -6.537 -3.689 -6.724 1.00 5.00 N ATOM 170 CA LYS A 15 -7.724 -3.832 -7.558 1.00 53.04 C ATOM 171 C LYS A 15 -7.699 -5.154 -8.319 1.00 33.24 C ATOM 172 O LYS A 15 -8.717 -5.837 -8.429 1.00 21.51 O ATOM 173 CB LYS A 15 -7.824 -2.665 -8.543 1.00 14.23 C ATOM 174 CG LYS A 15 -8.615 -1.484 -8.010 1.00 75.24 C ATOM 175 CD LYS A 15 -7.723 -0.279 -7.767 1.00 22.21 C ATOM 176 CE LYS A 15 -8.379 0.718 -6.824 1.00 4.10 C ATOM 177 NZ LYS A 15 -7.372 1.460 -6.013 1.00 75.44 N ATOM 0 H LYS A 15 -5.924 -2.919 -6.992 1.00 5.00 H new ATOM 0 HA LYS A 15 -8.598 -3.825 -6.907 1.00 53.04 H new ATOM 0 HB2 LYS A 15 -6.819 -2.331 -8.801 1.00 14.23 H new ATOM 0 HB3 LYS A 15 -8.289 -3.017 -9.464 1.00 14.23 H new ATOM 0 HG2 LYS A 15 -9.399 -1.220 -8.720 1.00 75.24 H new ATOM 0 HG3 LYS A 15 -9.109 -1.766 -7.080 1.00 75.24 H new ATOM 0 HD2 LYS A 15 -6.772 -0.607 -7.347 1.00 22.21 H new ATOM 0 HD3 LYS A 15 -7.501 0.208 -8.716 1.00 22.21 H new ATOM 0 HE2 LYS A 15 -8.974 1.426 -7.401 1.00 4.10 H new ATOM 0 HE3 LYS A 15 -9.065 0.192 -6.159 1.00 4.10 H new ATOM 0 HZ1 LYS A 15 -7.859 2.129 -5.383 1.00 75.44 H new ATOM 0 HZ2 LYS A 15 -6.821 0.787 -5.443 1.00 75.44 H new ATOM 0 HZ3 LYS A 15 -6.733 1.982 -6.646 1.00 75.44 H new ATOM 191 N TRP A 16 -6.530 -5.508 -8.841 1.00 62.24 N ATOM 192 CA TRP A 16 -6.372 -6.750 -9.590 1.00 60.42 C ATOM 193 C TRP A 16 -6.856 -7.944 -8.774 1.00 62.32 C ATOM 194 O TRP A 16 -7.687 -8.725 -9.234 1.00 61.11 O ATOM 195 CB TRP A 16 -4.909 -6.947 -9.988 1.00 10.11 C ATOM 196 CG TRP A 16 -4.652 -8.253 -10.677 1.00 52.14 C ATOM 197 CD1 TRP A 16 -4.167 -9.397 -10.111 1.00 51.14 C ATOM 198 CD2 TRP A 16 -4.865 -8.547 -12.063 1.00 3.44 C ATOM 199 NE1 TRP A 16 -4.065 -10.385 -11.061 1.00 65.22 N ATOM 200 CE2 TRP A 16 -4.488 -9.889 -12.265 1.00 52.21 C ATOM 201 CE3 TRP A 16 -5.338 -7.809 -13.150 1.00 73.04 C ATOM 202 CZ2 TRP A 16 -4.570 -10.505 -13.512 1.00 64.54 C ATOM 203 CZ3 TRP A 16 -5.419 -8.420 -14.386 1.00 54.22 C ATOM 204 CH2 TRP A 16 -5.037 -9.758 -14.559 1.00 63.43 C ATOM 0 H TRP A 16 -5.678 -4.953 -8.760 1.00 62.24 H new ATOM 0 HA TRP A 16 -6.980 -6.681 -10.492 1.00 60.42 H new ATOM 0 HB2 TRP A 16 -4.606 -6.132 -10.645 1.00 10.11 H new ATOM 0 HB3 TRP A 16 -4.286 -6.886 -9.096 1.00 10.11 H new ATOM 0 HD1 TRP A 16 -3.902 -9.509 -9.070 1.00 51.14 H new ATOM 0 HE1 TRP A 16 -3.729 -11.334 -10.896 1.00 65.22 H new ATOM 0 HE3 TRP A 16 -5.635 -6.778 -13.026 1.00 73.04 H new ATOM 0 HZ2 TRP A 16 -4.276 -11.535 -13.647 1.00 64.54 H new ATOM 0 HZ3 TRP A 16 -5.783 -7.858 -15.233 1.00 54.22 H new ATOM 0 HH2 TRP A 16 -5.113 -10.208 -15.538 1.00 63.43 H new ATOM 215 N GLU A 17 -6.330 -8.077 -7.560 1.00 12.42 N ATOM 216 CA GLU A 17 -6.708 -9.177 -6.681 1.00 4.12 C ATOM 217 C GLU A 17 -8.210 -9.165 -6.410 1.00 22.22 C ATOM 218 O GLU A 17 -8.807 -10.199 -6.110 1.00 12.44 O ATOM 219 CB GLU A 17 -5.940 -9.092 -5.361 1.00 3.01 C ATOM 220 CG GLU A 17 -4.467 -9.442 -5.490 1.00 71.24 C ATOM 221 CD GLU A 17 -3.758 -9.486 -4.150 1.00 62.10 C ATOM 222 OE1 GLU A 17 -4.454 -9.527 -3.113 1.00 20.03 O ATOM 223 OE2 GLU A 17 -2.510 -9.479 -4.138 1.00 51.23 O ATOM 0 H GLU A 17 -5.642 -7.437 -7.164 1.00 12.42 H new ATOM 0 HA GLU A 17 -6.454 -10.112 -7.181 1.00 4.12 H new ATOM 0 HB2 GLU A 17 -6.031 -8.082 -4.962 1.00 3.01 H new ATOM 0 HB3 GLU A 17 -6.402 -9.764 -4.638 1.00 3.01 H new ATOM 0 HG2 GLU A 17 -4.369 -10.410 -5.980 1.00 71.24 H new ATOM 0 HG3 GLU A 17 -3.978 -8.709 -6.132 1.00 71.24 H new ATOM 230 N LYS A 18 -8.815 -7.987 -6.518 1.00 23.44 N ATOM 231 CA LYS A 18 -10.246 -7.837 -6.287 1.00 43.34 C ATOM 232 C LYS A 18 -11.047 -8.348 -7.480 1.00 72.33 C ATOM 233 O LYS A 18 -11.984 -9.131 -7.321 1.00 61.22 O ATOM 234 CB LYS A 18 -10.590 -6.371 -6.018 1.00 71.53 C ATOM 235 CG LYS A 18 -11.919 -6.177 -5.309 1.00 73.22 C ATOM 236 CD LYS A 18 -12.023 -4.795 -4.687 1.00 44.14 C ATOM 237 CE LYS A 18 -13.169 -4.719 -3.688 1.00 62.41 C ATOM 238 NZ LYS A 18 -13.900 -3.424 -3.781 1.00 31.02 N ATOM 0 H LYS A 18 -8.335 -7.121 -6.764 1.00 23.44 H new ATOM 0 HA LYS A 18 -10.511 -8.432 -5.413 1.00 43.34 H new ATOM 0 HB2 LYS A 18 -9.798 -5.926 -5.416 1.00 71.53 H new ATOM 0 HB3 LYS A 18 -10.611 -5.832 -6.965 1.00 71.53 H new ATOM 0 HG2 LYS A 18 -12.735 -6.320 -6.018 1.00 73.22 H new ATOM 0 HG3 LYS A 18 -12.033 -6.935 -4.534 1.00 73.22 H new ATOM 0 HD2 LYS A 18 -11.086 -4.548 -4.187 1.00 44.14 H new ATOM 0 HD3 LYS A 18 -12.172 -4.052 -5.471 1.00 44.14 H new ATOM 0 HE2 LYS A 18 -13.862 -5.541 -3.867 1.00 62.41 H new ATOM 0 HE3 LYS A 18 -12.779 -4.845 -2.678 1.00 62.41 H new ATOM 0 HZ1 LYS A 18 -14.673 -3.411 -3.085 1.00 31.02 H new ATOM 0 HZ2 LYS A 18 -13.245 -2.641 -3.585 1.00 31.02 H new ATOM 0 HZ3 LYS A 18 -14.294 -3.315 -4.737 1.00 31.02 H new ATOM 252 N ILE A 19 -10.672 -7.901 -8.674 1.00 44.13 N ATOM 253 CA ILE A 19 -11.354 -8.315 -9.893 1.00 11.54 C ATOM 254 C ILE A 19 -11.454 -9.835 -9.977 1.00 34.03 C ATOM 255 O ILE A 19 -10.509 -10.549 -9.641 1.00 70.25 O ATOM 256 CB ILE A 19 -10.633 -7.789 -11.148 1.00 30.21 C ATOM 257 CG1 ILE A 19 -10.545 -6.262 -11.109 1.00 71.33 C ATOM 258 CG2 ILE A 19 -11.352 -8.252 -12.406 1.00 11.40 C ATOM 259 CD1 ILE A 19 -9.182 -5.725 -11.485 1.00 51.42 C ATOM 0 H ILE A 19 -9.899 -7.252 -8.823 1.00 44.13 H new ATOM 0 HA ILE A 19 -12.356 -7.888 -9.855 1.00 11.54 H new ATOM 0 HB ILE A 19 -9.621 -8.193 -11.163 1.00 30.21 H new ATOM 0 HG12 ILE A 19 -11.290 -5.846 -11.787 1.00 71.33 H new ATOM 0 HG13 ILE A 19 -10.798 -5.917 -10.107 1.00 71.33 H new ATOM 0 HG21 ILE A 19 -10.830 -7.872 -13.284 1.00 11.40 H new ATOM 0 HG22 ILE A 19 -11.367 -9.341 -12.436 1.00 11.40 H new ATOM 0 HG23 ILE A 19 -12.375 -7.875 -12.400 1.00 11.40 H new ATOM 0 HD11 ILE A 19 -9.194 -4.636 -11.435 1.00 51.42 H new ATOM 0 HD12 ILE A 19 -8.435 -6.112 -10.792 1.00 51.42 H new ATOM 0 HD13 ILE A 19 -8.934 -6.039 -12.499 1.00 51.42 H new ATOM 271 N ARG A 20 -12.604 -10.322 -10.431 1.00 13.32 N ATOM 272 CA ARG A 20 -12.828 -11.757 -10.562 1.00 20.31 C ATOM 273 C ARG A 20 -12.785 -12.183 -12.027 1.00 41.55 C ATOM 274 O ARG A 20 -13.152 -11.417 -12.918 1.00 61.13 O ATOM 275 CB ARG A 20 -14.174 -12.142 -9.946 1.00 52.31 C ATOM 276 CG ARG A 20 -14.049 -12.896 -8.632 1.00 11.04 C ATOM 277 CD ARG A 20 -15.391 -13.447 -8.175 1.00 31.41 C ATOM 278 NE ARG A 20 -16.380 -12.389 -7.983 1.00 31.13 N ATOM 279 CZ ARG A 20 -16.429 -11.617 -6.904 1.00 23.34 C ATOM 280 NH1 ARG A 20 -15.550 -11.783 -5.926 1.00 64.55 N ATOM 281 NH2 ARG A 20 -17.358 -10.675 -6.803 1.00 41.33 N ATOM 0 H ARG A 20 -13.395 -9.744 -10.714 1.00 13.32 H new ATOM 0 HA ARG A 20 -12.031 -12.274 -10.028 1.00 20.31 H new ATOM 0 HB2 ARG A 20 -14.761 -11.238 -9.782 1.00 52.31 H new ATOM 0 HB3 ARG A 20 -14.727 -12.756 -10.657 1.00 52.31 H new ATOM 0 HG2 ARG A 20 -13.339 -13.715 -8.747 1.00 11.04 H new ATOM 0 HG3 ARG A 20 -13.648 -12.231 -7.867 1.00 11.04 H new ATOM 0 HD2 ARG A 20 -15.761 -14.159 -8.913 1.00 31.41 H new ATOM 0 HD3 ARG A 20 -15.259 -13.994 -7.241 1.00 31.41 H new ATOM 0 HE ARG A 20 -17.070 -12.235 -8.718 1.00 31.13 H new ATOM 0 HH11 ARG A 20 -14.834 -12.505 -6.001 1.00 64.55 H new ATOM 0 HH12 ARG A 20 -15.590 -11.189 -5.098 1.00 64.55 H new ATOM 0 HH21 ARG A 20 -18.035 -10.544 -7.555 1.00 41.33 H new ATOM 0 HH22 ARG A 20 -17.395 -10.082 -5.974 1.00 41.33 H new ATOM 295 N LEU A 21 -12.335 -13.409 -12.267 1.00 30.01 N ATOM 296 CA LEU A 21 -12.244 -13.938 -13.624 1.00 42.21 C ATOM 297 C LEU A 21 -13.613 -13.953 -14.296 1.00 64.20 C ATOM 298 O LEU A 21 -13.733 -13.675 -15.489 1.00 30.01 O ATOM 299 CB LEU A 21 -11.658 -15.351 -13.603 1.00 55.21 C ATOM 300 CG LEU A 21 -10.332 -15.518 -12.861 1.00 61.14 C ATOM 301 CD1 LEU A 21 -10.184 -16.941 -12.345 1.00 45.14 C ATOM 302 CD2 LEU A 21 -9.165 -15.153 -13.766 1.00 75.32 C ATOM 0 H LEU A 21 -12.027 -14.056 -11.541 1.00 30.01 H new ATOM 0 HA LEU A 21 -11.585 -13.286 -14.198 1.00 42.21 H new ATOM 0 HB2 LEU A 21 -12.391 -16.020 -13.151 1.00 55.21 H new ATOM 0 HB3 LEU A 21 -11.519 -15.680 -14.633 1.00 55.21 H new ATOM 0 HG LEU A 21 -10.329 -14.842 -12.006 1.00 61.14 H new ATOM 0 HD11 LEU A 21 -9.234 -17.041 -11.820 1.00 45.14 H new ATOM 0 HD12 LEU A 21 -11.002 -17.167 -11.661 1.00 45.14 H new ATOM 0 HD13 LEU A 21 -10.209 -17.637 -13.184 1.00 45.14 H new ATOM 0 HD21 LEU A 21 -8.229 -15.278 -13.221 1.00 75.32 H new ATOM 0 HD22 LEU A 21 -9.165 -15.804 -14.640 1.00 75.32 H new ATOM 0 HD23 LEU A 21 -9.263 -14.116 -14.086 1.00 75.32 H new ATOM 314 N ARG A 22 -14.644 -14.275 -13.521 1.00 51.40 N ATOM 315 CA ARG A 22 -16.004 -14.325 -14.041 1.00 52.52 C ATOM 316 C ARG A 22 -16.957 -13.536 -13.148 1.00 24.31 C ATOM 317 O ARG A 22 -16.675 -13.272 -11.978 1.00 74.03 O ATOM 318 CB ARG A 22 -16.478 -15.775 -14.154 1.00 31.10 C ATOM 319 CG ARG A 22 -16.440 -16.320 -15.572 1.00 71.41 C ATOM 320 CD ARG A 22 -17.634 -17.220 -15.856 1.00 25.33 C ATOM 321 NE ARG A 22 -17.758 -18.289 -14.871 1.00 41.33 N ATOM 322 CZ ARG A 22 -18.664 -19.258 -14.948 1.00 14.13 C ATOM 323 NH1 ARG A 22 -19.519 -19.291 -15.961 1.00 10.33 N ATOM 324 NH2 ARG A 22 -18.715 -20.198 -14.013 1.00 64.04 N ATOM 0 H ARG A 22 -14.562 -14.505 -12.531 1.00 51.40 H new ATOM 0 HA ARG A 22 -16.003 -13.872 -15.033 1.00 52.52 H new ATOM 0 HB2 ARG A 22 -15.856 -16.402 -13.516 1.00 31.10 H new ATOM 0 HB3 ARG A 22 -17.497 -15.846 -13.774 1.00 31.10 H new ATOM 0 HG2 ARG A 22 -16.430 -15.492 -16.281 1.00 71.41 H new ATOM 0 HG3 ARG A 22 -15.517 -16.880 -15.723 1.00 71.41 H new ATOM 0 HD2 ARG A 22 -18.546 -16.623 -15.860 1.00 25.33 H new ATOM 0 HD3 ARG A 22 -17.533 -17.653 -16.851 1.00 25.33 H new ATOM 0 HE ARG A 22 -17.114 -18.293 -14.080 1.00 41.33 H new ATOM 0 HH11 ARG A 22 -19.482 -18.572 -16.683 1.00 10.33 H new ATOM 0 HH12 ARG A 22 -20.214 -20.036 -16.018 1.00 10.33 H new ATOM 0 HH21 ARG A 22 -18.058 -20.178 -13.233 1.00 64.04 H new ATOM 0 HH22 ARG A 22 -19.411 -20.941 -14.074 1.00 64.04 H new ATOM 338 N PRO A 23 -18.112 -13.149 -13.709 1.00 64.40 N ATOM 339 CA PRO A 23 -19.129 -12.384 -12.981 1.00 71.24 C ATOM 340 C PRO A 23 -19.818 -13.215 -11.904 1.00 53.31 C ATOM 341 O PRO A 23 -20.104 -12.722 -10.814 1.00 71.55 O ATOM 342 CB PRO A 23 -20.127 -11.992 -14.073 1.00 32.35 C ATOM 343 CG PRO A 23 -19.964 -13.033 -15.127 1.00 32.51 C ATOM 344 CD PRO A 23 -18.513 -13.428 -15.098 1.00 61.14 C ATOM 0 HA PRO A 23 -18.699 -11.533 -12.452 1.00 71.24 H new ATOM 0 HB2 PRO A 23 -21.147 -11.974 -13.689 1.00 32.35 H new ATOM 0 HB3 PRO A 23 -19.916 -10.997 -14.464 1.00 32.35 H new ATOM 0 HG2 PRO A 23 -20.606 -13.891 -14.930 1.00 32.51 H new ATOM 0 HG3 PRO A 23 -20.243 -12.644 -16.106 1.00 32.51 H new ATOM 0 HD2 PRO A 23 -18.377 -14.479 -15.352 1.00 61.14 H new ATOM 0 HD3 PRO A 23 -17.925 -12.850 -15.810 1.00 61.14 H new ATOM 352 N GLY A 24 -20.080 -14.480 -12.216 1.00 75.23 N ATOM 353 CA GLY A 24 -20.734 -15.359 -11.265 1.00 3.53 C ATOM 354 C GLY A 24 -19.822 -16.469 -10.780 1.00 5.03 C ATOM 355 O GLY A 24 -20.245 -17.617 -10.646 1.00 34.33 O ATOM 0 H GLY A 24 -19.851 -14.912 -13.111 1.00 75.23 H new ATOM 0 HA2 GLY A 24 -21.076 -14.775 -10.411 1.00 3.53 H new ATOM 0 HA3 GLY A 24 -21.619 -15.796 -11.728 1.00 3.53 H new ATOM 359 N GLY A 25 -18.565 -16.126 -10.515 1.00 5.43 N ATOM 360 CA GLY A 25 -17.610 -17.114 -10.047 1.00 24.02 C ATOM 361 C GLY A 25 -17.177 -16.868 -8.614 1.00 15.45 C ATOM 362 O GLY A 25 -17.713 -15.990 -7.938 1.00 4.31 O ATOM 0 H GLY A 25 -18.191 -15.182 -10.616 1.00 5.43 H new ATOM 0 HA2 GLY A 25 -18.052 -18.107 -10.124 1.00 24.02 H new ATOM 0 HA3 GLY A 25 -16.734 -17.104 -10.695 1.00 24.02 H new ATOM 366 N LYS A 26 -16.206 -17.646 -8.150 1.00 11.24 N ATOM 367 CA LYS A 26 -15.700 -17.511 -6.789 1.00 32.23 C ATOM 368 C LYS A 26 -14.177 -17.591 -6.763 1.00 74.14 C ATOM 369 O LYS A 26 -13.582 -17.975 -5.756 1.00 74.33 O ATOM 370 CB LYS A 26 -16.294 -18.599 -5.891 1.00 34.01 C ATOM 371 CG LYS A 26 -17.772 -18.407 -5.600 1.00 62.43 C ATOM 372 CD LYS A 26 -18.520 -19.730 -5.611 1.00 61.11 C ATOM 373 CE LYS A 26 -18.344 -20.479 -4.300 1.00 3.31 C ATOM 374 NZ LYS A 26 -19.378 -20.097 -3.298 1.00 0.54 N ATOM 0 H LYS A 26 -15.753 -18.378 -8.697 1.00 11.24 H new ATOM 0 HA LYS A 26 -16.001 -16.533 -6.413 1.00 32.23 H new ATOM 0 HB2 LYS A 26 -16.149 -19.569 -6.366 1.00 34.01 H new ATOM 0 HB3 LYS A 26 -15.746 -18.620 -4.949 1.00 34.01 H new ATOM 0 HG2 LYS A 26 -17.893 -17.928 -4.628 1.00 62.43 H new ATOM 0 HG3 LYS A 26 -18.206 -17.737 -6.342 1.00 62.43 H new ATOM 0 HD2 LYS A 26 -19.580 -19.549 -5.788 1.00 61.11 H new ATOM 0 HD3 LYS A 26 -18.160 -20.346 -6.435 1.00 61.11 H new ATOM 0 HE2 LYS A 26 -18.397 -21.552 -4.485 1.00 3.31 H new ATOM 0 HE3 LYS A 26 -17.353 -20.274 -3.895 1.00 3.31 H new ATOM 0 HZ1 LYS A 26 -19.223 -20.630 -2.418 1.00 0.54 H new ATOM 0 HZ2 LYS A 26 -19.311 -19.078 -3.102 1.00 0.54 H new ATOM 0 HZ3 LYS A 26 -20.323 -20.316 -3.673 1.00 0.54 H new ATOM 388 N LYS A 27 -13.551 -17.225 -7.877 1.00 1.42 N ATOM 389 CA LYS A 27 -12.097 -17.253 -7.982 1.00 32.25 C ATOM 390 C LYS A 27 -11.560 -15.905 -8.451 1.00 13.21 C ATOM 391 O LYS A 27 -11.481 -15.643 -9.651 1.00 34.13 O ATOM 392 CB LYS A 27 -11.656 -18.355 -8.948 1.00 71.44 C ATOM 393 CG LYS A 27 -10.242 -18.851 -8.701 1.00 72.13 C ATOM 394 CD LYS A 27 -10.009 -20.210 -9.339 1.00 2.21 C ATOM 395 CE LYS A 27 -8.702 -20.244 -10.117 1.00 1.41 C ATOM 396 NZ LYS A 27 -8.277 -21.637 -10.427 1.00 35.21 N ATOM 0 H LYS A 27 -14.028 -16.905 -8.720 1.00 1.42 H new ATOM 0 HA LYS A 27 -11.690 -17.462 -6.993 1.00 32.25 H new ATOM 0 HB2 LYS A 27 -12.346 -19.195 -8.867 1.00 71.44 H new ATOM 0 HB3 LYS A 27 -11.728 -17.981 -9.969 1.00 71.44 H new ATOM 0 HG2 LYS A 27 -9.528 -18.132 -9.103 1.00 72.13 H new ATOM 0 HG3 LYS A 27 -10.060 -18.916 -7.628 1.00 72.13 H new ATOM 0 HD2 LYS A 27 -9.994 -20.978 -8.566 1.00 2.21 H new ATOM 0 HD3 LYS A 27 -10.837 -20.446 -10.007 1.00 2.21 H new ATOM 0 HE2 LYS A 27 -8.817 -19.684 -11.045 1.00 1.41 H new ATOM 0 HE3 LYS A 27 -7.923 -19.747 -9.540 1.00 1.41 H new ATOM 0 HZ1 LYS A 27 -7.383 -21.617 -10.958 1.00 35.21 H new ATOM 0 HZ2 LYS A 27 -8.142 -22.164 -9.541 1.00 35.21 H new ATOM 0 HZ3 LYS A 27 -9.009 -22.104 -11.000 1.00 35.21 H new ATOM 410 N GLN A 28 -11.190 -15.056 -7.498 1.00 71.54 N ATOM 411 CA GLN A 28 -10.660 -13.736 -7.816 1.00 62.41 C ATOM 412 C GLN A 28 -9.400 -13.846 -8.669 1.00 73.43 C ATOM 413 O GLN A 28 -8.913 -14.944 -8.935 1.00 42.33 O ATOM 414 CB GLN A 28 -10.354 -12.963 -6.531 1.00 12.43 C ATOM 415 CG GLN A 28 -11.483 -13.003 -5.514 1.00 32.32 C ATOM 416 CD GLN A 28 -11.248 -14.028 -4.422 1.00 55.21 C ATOM 417 OE1 GLN A 28 -10.288 -13.932 -3.658 1.00 35.53 O ATOM 418 NE2 GLN A 28 -12.129 -15.020 -4.343 1.00 31.04 N ATOM 0 H GLN A 28 -11.247 -15.259 -6.500 1.00 71.54 H new ATOM 0 HA GLN A 28 -11.416 -13.196 -8.386 1.00 62.41 H new ATOM 0 HB2 GLN A 28 -9.452 -13.373 -6.076 1.00 12.43 H new ATOM 0 HB3 GLN A 28 -10.140 -11.924 -6.784 1.00 12.43 H new ATOM 0 HG2 GLN A 28 -11.596 -12.017 -5.063 1.00 32.32 H new ATOM 0 HG3 GLN A 28 -12.419 -13.230 -6.024 1.00 32.32 H new ATOM 0 HE21 GLN A 28 -12.911 -15.061 -4.997 1.00 31.04 H new ATOM 0 HE22 GLN A 28 -12.023 -15.740 -3.628 1.00 31.04 H new ATOM 427 N TYR A 29 -8.880 -12.701 -9.096 1.00 32.44 N ATOM 428 CA TYR A 29 -7.678 -12.669 -9.922 1.00 53.10 C ATOM 429 C TYR A 29 -6.422 -12.748 -9.060 1.00 43.11 C ATOM 430 O TYR A 29 -6.405 -12.280 -7.922 1.00 63.43 O ATOM 431 CB TYR A 29 -7.650 -11.396 -10.770 1.00 44.13 C ATOM 432 CG TYR A 29 -8.107 -11.606 -12.195 1.00 42.21 C ATOM 433 CD1 TYR A 29 -7.265 -12.188 -13.136 1.00 41.14 C ATOM 434 CD2 TYR A 29 -9.378 -11.223 -12.602 1.00 51.12 C ATOM 435 CE1 TYR A 29 -7.678 -12.381 -14.439 1.00 15.42 C ATOM 436 CE2 TYR A 29 -9.800 -11.415 -13.904 1.00 4.12 C ATOM 437 CZ TYR A 29 -8.946 -11.994 -14.819 1.00 20.11 C ATOM 438 OH TYR A 29 -9.362 -12.185 -16.116 1.00 12.24 O ATOM 0 H TYR A 29 -9.271 -11.783 -8.884 1.00 32.44 H new ATOM 0 HA TYR A 29 -7.698 -13.536 -10.582 1.00 53.10 H new ATOM 0 HB2 TYR A 29 -8.284 -10.644 -10.301 1.00 44.13 H new ATOM 0 HB3 TYR A 29 -6.636 -10.997 -10.778 1.00 44.13 H new ATOM 0 HD1 TYR A 29 -6.272 -12.494 -12.843 1.00 41.14 H new ATOM 0 HD2 TYR A 29 -10.049 -10.767 -11.889 1.00 51.12 H new ATOM 0 HE1 TYR A 29 -7.011 -12.833 -15.158 1.00 15.42 H new ATOM 0 HE2 TYR A 29 -10.793 -11.113 -14.203 1.00 4.12 H new ATOM 0 HH TYR A 29 -10.310 -11.950 -16.193 1.00 12.24 H new ATOM 448 N LYS A 30 -5.370 -13.344 -9.611 1.00 74.12 N ATOM 449 CA LYS A 30 -4.108 -13.485 -8.897 1.00 73.21 C ATOM 450 C LYS A 30 -2.926 -13.405 -9.858 1.00 32.41 C ATOM 451 O LYS A 30 -3.094 -13.511 -11.075 1.00 4.01 O ATOM 452 CB LYS A 30 -4.073 -14.813 -8.138 1.00 11.44 C ATOM 453 CG LYS A 30 -3.928 -14.651 -6.634 1.00 54.10 C ATOM 454 CD LYS A 30 -4.212 -15.952 -5.904 1.00 11.35 C ATOM 455 CE LYS A 30 -3.246 -16.164 -4.747 1.00 72.30 C ATOM 456 NZ LYS A 30 -3.777 -15.605 -3.472 1.00 33.24 N ATOM 0 H LYS A 30 -5.367 -13.738 -10.552 1.00 74.12 H new ATOM 0 HA LYS A 30 -4.030 -12.664 -8.184 1.00 73.21 H new ATOM 0 HB2 LYS A 30 -4.988 -15.366 -8.349 1.00 11.44 H new ATOM 0 HB3 LYS A 30 -3.244 -15.414 -8.512 1.00 11.44 H new ATOM 0 HG2 LYS A 30 -2.919 -14.314 -6.399 1.00 54.10 H new ATOM 0 HG3 LYS A 30 -4.612 -13.879 -6.283 1.00 54.10 H new ATOM 0 HD2 LYS A 30 -5.235 -15.944 -5.528 1.00 11.35 H new ATOM 0 HD3 LYS A 30 -4.135 -16.786 -6.601 1.00 11.35 H new ATOM 0 HE2 LYS A 30 -3.054 -17.230 -4.624 1.00 72.30 H new ATOM 0 HE3 LYS A 30 -2.291 -15.693 -4.980 1.00 72.30 H new ATOM 0 HZ1 LYS A 30 -3.090 -15.769 -2.708 1.00 33.24 H new ATOM 0 HZ2 LYS A 30 -3.936 -14.583 -3.581 1.00 33.24 H new ATOM 0 HZ3 LYS A 30 -4.676 -16.072 -3.236 1.00 33.24 H new ATOM 470 N LEU A 31 -1.732 -13.219 -9.307 1.00 71.11 N ATOM 471 CA LEU A 31 -0.522 -13.127 -10.116 1.00 22.30 C ATOM 472 C LEU A 31 -0.410 -14.315 -11.066 1.00 1.41 C ATOM 473 O LEU A 31 0.153 -14.202 -12.156 1.00 42.41 O ATOM 474 CB LEU A 31 0.713 -13.061 -9.216 1.00 5.20 C ATOM 475 CG LEU A 31 0.833 -11.820 -8.329 1.00 75.31 C ATOM 476 CD1 LEU A 31 1.641 -12.133 -7.080 1.00 60.31 C ATOM 477 CD2 LEU A 31 1.463 -10.672 -9.103 1.00 64.22 C ATOM 0 H LEU A 31 -1.576 -13.129 -8.303 1.00 71.11 H new ATOM 0 HA LEU A 31 -0.580 -12.215 -10.710 1.00 22.30 H new ATOM 0 HB2 LEU A 31 0.718 -13.943 -8.575 1.00 5.20 H new ATOM 0 HB3 LEU A 31 1.600 -13.120 -9.846 1.00 5.20 H new ATOM 0 HG LEU A 31 -0.168 -11.517 -8.021 1.00 75.31 H new ATOM 0 HD11 LEU A 31 1.716 -11.239 -6.461 1.00 60.31 H new ATOM 0 HD12 LEU A 31 1.147 -12.924 -6.516 1.00 60.31 H new ATOM 0 HD13 LEU A 31 2.640 -12.461 -7.366 1.00 60.31 H new ATOM 0 HD21 LEU A 31 1.541 -9.797 -8.457 1.00 64.22 H new ATOM 0 HD22 LEU A 31 2.458 -10.963 -9.441 1.00 64.22 H new ATOM 0 HD23 LEU A 31 0.843 -10.432 -9.966 1.00 64.22 H new ATOM 489 N LYS A 32 -0.951 -15.454 -10.646 1.00 74.24 N ATOM 490 CA LYS A 32 -0.916 -16.663 -11.460 1.00 33.21 C ATOM 491 C LYS A 32 -1.442 -16.389 -12.866 1.00 45.55 C ATOM 492 O LYS A 32 -0.934 -16.933 -13.847 1.00 44.54 O ATOM 493 CB LYS A 32 -1.742 -17.770 -10.802 1.00 52.15 C ATOM 494 CG LYS A 32 -0.918 -18.973 -10.374 1.00 61.53 C ATOM 495 CD LYS A 32 -0.824 -19.074 -8.861 1.00 14.04 C ATOM 496 CE LYS A 32 -2.047 -19.761 -8.272 1.00 1.11 C ATOM 497 NZ LYS A 32 -2.801 -18.860 -7.356 1.00 12.44 N ATOM 0 H LYS A 32 -1.419 -15.565 -9.746 1.00 74.24 H new ATOM 0 HA LYS A 32 0.121 -16.989 -11.537 1.00 33.21 H new ATOM 0 HB2 LYS A 32 -2.252 -17.361 -9.930 1.00 52.15 H new ATOM 0 HB3 LYS A 32 -2.514 -18.098 -11.498 1.00 52.15 H new ATOM 0 HG2 LYS A 32 -1.366 -19.883 -10.773 1.00 61.53 H new ATOM 0 HG3 LYS A 32 0.084 -18.899 -10.798 1.00 61.53 H new ATOM 0 HD2 LYS A 32 0.074 -19.629 -8.587 1.00 14.04 H new ATOM 0 HD3 LYS A 32 -0.725 -18.076 -8.434 1.00 14.04 H new ATOM 0 HE2 LYS A 32 -2.702 -20.090 -9.078 1.00 1.11 H new ATOM 0 HE3 LYS A 32 -1.736 -20.654 -7.729 1.00 1.11 H new ATOM 0 HZ1 LYS A 32 -3.283 -19.428 -6.630 1.00 12.44 H new ATOM 0 HZ2 LYS A 32 -2.141 -18.200 -6.897 1.00 12.44 H new ATOM 0 HZ3 LYS A 32 -3.506 -18.323 -7.900 1.00 12.44 H new ATOM 511 N HIS A 33 -2.463 -15.542 -12.955 1.00 33.22 N ATOM 512 CA HIS A 33 -3.057 -15.194 -14.242 1.00 60.33 C ATOM 513 C HIS A 33 -2.182 -14.192 -14.990 1.00 4.24 C ATOM 514 O HIS A 33 -2.136 -14.288 -16.217 1.00 44.11 O ATOM 515 CB HIS A 33 -4.457 -14.613 -14.041 1.00 43.41 C ATOM 516 CG HIS A 33 -5.308 -15.415 -13.104 1.00 32.51 C ATOM 517 ND1 HIS A 33 -6.013 -14.853 -12.061 1.00 51.32 N ATOM 518 CD2 HIS A 33 -5.567 -16.743 -13.059 1.00 32.22 C ATOM 519 CE1 HIS A 33 -6.668 -15.802 -11.414 1.00 42.31 C ATOM 520 NE2 HIS A 33 -6.414 -16.958 -12.001 1.00 53.31 N ATOM 0 H HIS A 33 -2.896 -15.084 -12.153 1.00 33.22 H new ATOM 0 HA HIS A 33 -3.131 -16.104 -14.838 1.00 60.33 H new ATOM 0 HB2 HIS A 33 -4.368 -13.596 -13.659 1.00 43.41 H new ATOM 0 HB3 HIS A 33 -4.957 -14.548 -15.007 1.00 43.41 H new ATOM 0 HD2 HIS A 33 -5.179 -17.494 -13.731 1.00 32.22 H new ATOM 0 HE1 HIS A 33 -7.303 -15.657 -10.552 1.00 42.31 H new ATOM 0 HE2 HIS A 33 -6.787 -17.863 -11.714 1.00 53.31 H new ATOM 528 N ILE A 34 -1.511 -13.269 -14.310 1.00 32.53 N ATOM 529 CA ILE A 34 -0.662 -12.292 -14.982 1.00 14.03 C ATOM 530 C ILE A 34 0.554 -12.962 -15.613 1.00 54.03 C ATOM 531 O ILE A 34 0.996 -12.578 -16.695 1.00 10.33 O ATOM 532 CB ILE A 34 -0.184 -11.198 -14.009 1.00 22.14 C ATOM 533 CG1 ILE A 34 -1.373 -10.600 -13.255 1.00 50.40 C ATOM 534 CG2 ILE A 34 0.572 -10.113 -14.762 1.00 71.22 C ATOM 535 CD1 ILE A 34 -0.975 -9.597 -12.196 1.00 24.22 C ATOM 0 H ILE A 34 -1.538 -13.177 -13.295 1.00 32.53 H new ATOM 0 HA ILE A 34 -1.267 -11.833 -15.764 1.00 14.03 H new ATOM 0 HB ILE A 34 0.493 -11.649 -13.283 1.00 22.14 H new ATOM 0 HG12 ILE A 34 -2.040 -10.117 -13.969 1.00 50.40 H new ATOM 0 HG13 ILE A 34 -1.938 -11.406 -12.786 1.00 50.40 H new ATOM 0 HG21 ILE A 34 0.903 -9.347 -14.061 1.00 71.22 H new ATOM 0 HG22 ILE A 34 1.439 -10.551 -15.258 1.00 71.22 H new ATOM 0 HG23 ILE A 34 -0.084 -9.663 -15.508 1.00 71.22 H new ATOM 0 HD11 ILE A 34 -1.869 -9.215 -11.703 1.00 24.22 H new ATOM 0 HD12 ILE A 34 -0.333 -10.081 -11.460 1.00 24.22 H new ATOM 0 HD13 ILE A 34 -0.436 -8.771 -12.661 1.00 24.22 H new ATOM 547 N VAL A 35 1.089 -13.969 -14.929 1.00 31.12 N ATOM 548 CA VAL A 35 2.252 -14.696 -15.424 1.00 23.43 C ATOM 549 C VAL A 35 1.849 -15.738 -16.462 1.00 45.24 C ATOM 550 O VAL A 35 2.558 -15.957 -17.443 1.00 34.43 O ATOM 551 CB VAL A 35 3.006 -15.395 -14.277 1.00 11.44 C ATOM 552 CG1 VAL A 35 4.196 -16.173 -14.817 1.00 42.30 C ATOM 553 CG2 VAL A 35 3.451 -14.379 -13.235 1.00 12.53 C ATOM 0 H VAL A 35 0.736 -14.300 -14.031 1.00 31.12 H new ATOM 0 HA VAL A 35 2.910 -13.962 -15.888 1.00 23.43 H new ATOM 0 HB VAL A 35 2.328 -16.101 -13.797 1.00 11.44 H new ATOM 0 HG11 VAL A 35 4.717 -16.660 -13.993 1.00 42.30 H new ATOM 0 HG12 VAL A 35 3.848 -16.927 -15.522 1.00 42.30 H new ATOM 0 HG13 VAL A 35 4.878 -15.490 -15.324 1.00 42.30 H new ATOM 0 HG21 VAL A 35 3.982 -14.890 -12.432 1.00 12.53 H new ATOM 0 HG22 VAL A 35 4.112 -13.648 -13.699 1.00 12.53 H new ATOM 0 HG23 VAL A 35 2.578 -13.871 -12.826 1.00 12.53 H new ATOM 563 N TRP A 36 0.706 -16.376 -16.237 1.00 12.14 N ATOM 564 CA TRP A 36 0.208 -17.395 -17.154 1.00 41.14 C ATOM 565 C TRP A 36 0.072 -16.837 -18.567 1.00 45.24 C ATOM 566 O TRP A 36 0.296 -17.545 -19.547 1.00 1.11 O ATOM 567 CB TRP A 36 -1.142 -17.928 -16.671 1.00 1.43 C ATOM 568 CG TRP A 36 -1.781 -18.885 -17.631 1.00 32.15 C ATOM 569 CD1 TRP A 36 -1.772 -20.249 -17.559 1.00 42.14 C ATOM 570 CD2 TRP A 36 -2.521 -18.550 -18.810 1.00 35.44 C ATOM 571 NE1 TRP A 36 -2.462 -20.781 -18.620 1.00 32.15 N ATOM 572 CE2 TRP A 36 -2.932 -19.759 -19.404 1.00 42.42 C ATOM 573 CE3 TRP A 36 -2.877 -17.345 -19.422 1.00 53.22 C ATOM 574 CZ2 TRP A 36 -3.680 -19.797 -20.577 1.00 4.10 C ATOM 575 CZ3 TRP A 36 -3.619 -17.384 -20.587 1.00 72.52 C ATOM 576 CH2 TRP A 36 -4.014 -18.602 -21.154 1.00 73.12 C ATOM 0 H TRP A 36 0.107 -16.206 -15.429 1.00 12.14 H new ATOM 0 HA TRP A 36 0.928 -18.213 -17.175 1.00 41.14 H new ATOM 0 HB2 TRP A 36 -1.006 -18.425 -15.710 1.00 1.43 H new ATOM 0 HB3 TRP A 36 -1.817 -17.089 -16.503 1.00 1.43 H new ATOM 0 HD1 TRP A 36 -1.292 -20.825 -16.781 1.00 42.14 H new ATOM 0 HE1 TRP A 36 -2.602 -21.776 -18.797 1.00 32.15 H new ATOM 0 HE3 TRP A 36 -2.578 -16.401 -18.992 1.00 53.22 H new ATOM 0 HZ2 TRP A 36 -3.986 -20.735 -21.016 1.00 4.10 H new ATOM 0 HZ3 TRP A 36 -3.899 -16.459 -21.069 1.00 72.52 H new ATOM 0 HH2 TRP A 36 -4.594 -18.598 -22.065 1.00 73.12 H new ATOM 587 N ALA A 37 -0.297 -15.564 -18.662 1.00 34.52 N ATOM 588 CA ALA A 37 -0.461 -14.911 -19.955 1.00 32.11 C ATOM 589 C ALA A 37 0.886 -14.480 -20.527 1.00 41.14 C ATOM 590 O ALA A 37 1.154 -14.662 -21.714 1.00 75.13 O ATOM 591 CB ALA A 37 -1.390 -13.714 -19.828 1.00 65.35 C ATOM 0 H ALA A 37 -0.488 -14.964 -17.859 1.00 34.52 H new ATOM 0 HA ALA A 37 -0.905 -15.630 -20.643 1.00 32.11 H new ATOM 0 HB1 ALA A 37 -1.503 -13.236 -20.801 1.00 65.35 H new ATOM 0 HB2 ALA A 37 -2.365 -14.046 -19.471 1.00 65.35 H new ATOM 0 HB3 ALA A 37 -0.969 -13.000 -19.120 1.00 65.35 H new ATOM 597 N SER A 38 1.729 -13.906 -19.674 1.00 12.33 N ATOM 598 CA SER A 38 3.047 -13.445 -20.096 1.00 41.12 C ATOM 599 C SER A 38 3.817 -14.564 -20.791 1.00 65.21 C ATOM 600 O SER A 38 4.530 -14.328 -21.766 1.00 21.42 O ATOM 601 CB SER A 38 3.840 -12.934 -18.892 1.00 32.15 C ATOM 602 OG SER A 38 4.827 -13.872 -18.497 1.00 1.00 O ATOM 0 H SER A 38 1.523 -13.749 -18.687 1.00 12.33 H new ATOM 0 HA SER A 38 2.911 -12.628 -20.805 1.00 41.12 H new ATOM 0 HB2 SER A 38 4.315 -11.985 -19.141 1.00 32.15 H new ATOM 0 HB3 SER A 38 3.162 -12.743 -18.060 1.00 32.15 H new ATOM 0 HG SER A 38 4.392 -14.662 -18.113 1.00 1.00 H new ATOM 608 N ARG A 39 3.668 -15.782 -20.280 1.00 21.42 N ATOM 609 CA ARG A 39 4.351 -16.937 -20.849 1.00 72.31 C ATOM 610 C ARG A 39 3.774 -17.289 -22.218 1.00 52.30 C ATOM 611 O ARG A 39 4.513 -17.587 -23.155 1.00 43.50 O ATOM 612 CB ARG A 39 4.235 -18.139 -19.911 1.00 63.34 C ATOM 613 CG ARG A 39 5.407 -18.280 -18.954 1.00 60.44 C ATOM 614 CD ARG A 39 6.281 -19.470 -19.316 1.00 2.43 C ATOM 615 NE ARG A 39 7.057 -19.230 -20.530 1.00 44.31 N ATOM 616 CZ ARG A 39 7.676 -20.190 -21.208 1.00 40.12 C ATOM 617 NH1 ARG A 39 7.611 -21.448 -20.793 1.00 30.22 N ATOM 618 NH2 ARG A 39 8.363 -19.893 -22.304 1.00 75.32 N ATOM 0 H ARG A 39 3.081 -15.994 -19.473 1.00 21.42 H new ATOM 0 HA ARG A 39 5.403 -16.681 -20.971 1.00 72.31 H new ATOM 0 HB2 ARG A 39 3.314 -18.051 -19.334 1.00 63.34 H new ATOM 0 HB3 ARG A 39 4.152 -19.048 -20.507 1.00 63.34 H new ATOM 0 HG2 ARG A 39 6.005 -17.369 -18.973 1.00 60.44 H new ATOM 0 HG3 ARG A 39 5.035 -18.397 -17.936 1.00 60.44 H new ATOM 0 HD2 ARG A 39 6.958 -19.687 -18.490 1.00 2.43 H new ATOM 0 HD3 ARG A 39 5.654 -20.351 -19.454 1.00 2.43 H new ATOM 0 HE ARG A 39 7.127 -18.273 -20.876 1.00 44.31 H new ATOM 0 HH11 ARG A 39 7.085 -21.681 -19.951 1.00 30.22 H new ATOM 0 HH12 ARG A 39 8.087 -22.183 -21.316 1.00 30.22 H new ATOM 0 HH21 ARG A 39 8.416 -18.927 -22.626 1.00 75.32 H new ATOM 0 HH22 ARG A 39 8.838 -20.631 -22.824 1.00 75.32 H new ATOM 632 N GLU A 40 2.449 -17.253 -22.323 1.00 51.22 N ATOM 633 CA GLU A 40 1.774 -17.571 -23.576 1.00 24.42 C ATOM 634 C GLU A 40 2.035 -16.490 -24.623 1.00 1.41 C ATOM 635 O GLU A 40 1.992 -16.753 -25.825 1.00 33.13 O ATOM 636 CB GLU A 40 0.269 -17.720 -23.346 1.00 62.12 C ATOM 637 CG GLU A 40 -0.405 -18.668 -24.324 1.00 73.11 C ATOM 638 CD GLU A 40 -0.336 -20.115 -23.876 1.00 20.03 C ATOM 639 OE1 GLU A 40 0.771 -20.693 -23.907 1.00 34.23 O ATOM 640 OE2 GLU A 40 -1.387 -20.669 -23.495 1.00 63.10 O ATOM 0 H GLU A 40 1.823 -17.007 -21.556 1.00 51.22 H new ATOM 0 HA GLU A 40 2.173 -18.516 -23.946 1.00 24.42 H new ATOM 0 HB2 GLU A 40 0.099 -18.078 -22.330 1.00 62.12 H new ATOM 0 HB3 GLU A 40 -0.200 -16.739 -23.422 1.00 62.12 H new ATOM 0 HG2 GLU A 40 -1.449 -18.378 -24.444 1.00 73.11 H new ATOM 0 HG3 GLU A 40 0.067 -18.571 -25.302 1.00 73.11 H new ATOM 647 N LEU A 41 2.304 -15.276 -24.157 1.00 20.03 N ATOM 648 CA LEU A 41 2.572 -14.156 -25.051 1.00 34.53 C ATOM 649 C LEU A 41 3.893 -14.350 -25.789 1.00 3.50 C ATOM 650 O LEU A 41 3.937 -14.334 -27.018 1.00 31.32 O ATOM 651 CB LEU A 41 2.602 -12.845 -24.264 1.00 22.24 C ATOM 652 CG LEU A 41 1.278 -12.086 -24.170 1.00 13.01 C ATOM 653 CD1 LEU A 41 1.436 -10.842 -23.310 1.00 75.13 C ATOM 654 CD2 LEU A 41 0.775 -11.718 -25.558 1.00 0.25 C ATOM 0 H LEU A 41 2.342 -15.042 -23.165 1.00 20.03 H new ATOM 0 HA LEU A 41 1.770 -14.112 -25.787 1.00 34.53 H new ATOM 0 HB2 LEU A 41 2.947 -13.060 -23.253 1.00 22.24 H new ATOM 0 HB3 LEU A 41 3.342 -12.188 -24.720 1.00 22.24 H new ATOM 0 HG LEU A 41 0.541 -12.736 -23.699 1.00 13.01 H new ATOM 0 HD11 LEU A 41 0.484 -10.315 -23.255 1.00 75.13 H new ATOM 0 HD12 LEU A 41 1.750 -11.131 -22.307 1.00 75.13 H new ATOM 0 HD13 LEU A 41 2.188 -10.188 -23.751 1.00 75.13 H new ATOM 0 HD21 LEU A 41 -0.168 -11.178 -25.472 1.00 0.25 H new ATOM 0 HD22 LEU A 41 1.510 -11.086 -26.056 1.00 0.25 H new ATOM 0 HD23 LEU A 41 0.622 -12.626 -26.142 1.00 0.25 H new ATOM 666 N GLU A 42 4.967 -14.538 -25.027 1.00 33.31 N ATOM 667 CA GLU A 42 6.289 -14.737 -25.609 1.00 14.11 C ATOM 668 C GLU A 42 6.273 -15.883 -26.617 1.00 53.45 C ATOM 669 O GLU A 42 7.067 -15.909 -27.557 1.00 50.41 O ATOM 670 CB GLU A 42 7.316 -15.023 -24.512 1.00 22.41 C ATOM 671 CG GLU A 42 8.672 -15.457 -25.045 1.00 61.10 C ATOM 672 CD GLU A 42 9.814 -15.055 -24.131 1.00 71.24 C ATOM 673 OE1 GLU A 42 9.925 -15.635 -23.031 1.00 23.25 O ATOM 674 OE2 GLU A 42 10.595 -14.160 -24.518 1.00 45.43 O ATOM 0 H GLU A 42 4.947 -14.557 -24.007 1.00 33.31 H new ATOM 0 HA GLU A 42 6.570 -13.822 -26.130 1.00 14.11 H new ATOM 0 HB2 GLU A 42 7.444 -14.128 -23.903 1.00 22.41 H new ATOM 0 HB3 GLU A 42 6.927 -15.802 -23.856 1.00 22.41 H new ATOM 0 HG2 GLU A 42 8.678 -16.539 -25.174 1.00 61.10 H new ATOM 0 HG3 GLU A 42 8.828 -15.018 -26.030 1.00 61.10 H new ATOM 681 N ARG A 43 5.363 -16.831 -26.412 1.00 64.23 N ATOM 682 CA ARG A 43 5.244 -17.981 -27.300 1.00 63.24 C ATOM 683 C ARG A 43 4.774 -17.551 -28.686 1.00 44.43 C ATOM 684 O ARG A 43 5.119 -18.174 -29.691 1.00 62.55 O ATOM 685 CB ARG A 43 4.269 -19.005 -26.714 1.00 11.43 C ATOM 686 CG ARG A 43 4.193 -20.297 -27.511 1.00 60.33 C ATOM 687 CD ARG A 43 5.439 -21.146 -27.319 1.00 24.01 C ATOM 688 NE ARG A 43 5.851 -21.803 -28.556 1.00 1.01 N ATOM 689 CZ ARG A 43 6.750 -22.780 -28.606 1.00 42.13 C ATOM 690 NH1 ARG A 43 7.327 -23.211 -27.493 1.00 24.11 N ATOM 691 NH2 ARG A 43 7.072 -23.328 -29.770 1.00 74.13 N ATOM 0 H ARG A 43 4.698 -16.825 -25.639 1.00 64.23 H new ATOM 0 HA ARG A 43 6.229 -18.439 -27.395 1.00 63.24 H new ATOM 0 HB2 ARG A 43 4.568 -19.236 -25.692 1.00 11.43 H new ATOM 0 HB3 ARG A 43 3.275 -18.560 -26.663 1.00 11.43 H new ATOM 0 HG2 ARG A 43 3.314 -20.864 -27.203 1.00 60.33 H new ATOM 0 HG3 ARG A 43 4.069 -20.066 -28.569 1.00 60.33 H new ATOM 0 HD2 ARG A 43 6.252 -20.519 -26.954 1.00 24.01 H new ATOM 0 HD3 ARG A 43 5.250 -21.899 -26.554 1.00 24.01 H new ATOM 0 HE ARG A 43 5.425 -21.495 -29.430 1.00 1.01 H new ATOM 0 HH11 ARG A 43 7.081 -22.792 -26.596 1.00 24.11 H new ATOM 0 HH12 ARG A 43 8.017 -23.961 -27.534 1.00 24.11 H new ATOM 0 HH21 ARG A 43 6.629 -22.999 -30.628 1.00 74.13 H new ATOM 0 HH22 ARG A 43 7.762 -24.078 -29.807 1.00 74.13 H new ATOM 705 N PHE A 44 3.985 -16.482 -28.733 1.00 10.32 N ATOM 706 CA PHE A 44 3.466 -15.970 -29.996 1.00 11.34 C ATOM 707 C PHE A 44 4.340 -14.834 -30.521 1.00 71.02 C ATOM 708 O PHE A 44 3.864 -13.948 -31.230 1.00 73.23 O ATOM 709 CB PHE A 44 2.028 -15.482 -29.820 1.00 75.52 C ATOM 710 CG PHE A 44 1.100 -16.533 -29.279 1.00 23.20 C ATOM 711 CD1 PHE A 44 1.051 -17.794 -29.851 1.00 24.25 C ATOM 712 CD2 PHE A 44 0.275 -16.258 -28.200 1.00 3.45 C ATOM 713 CE1 PHE A 44 0.200 -18.763 -29.355 1.00 75.42 C ATOM 714 CE2 PHE A 44 -0.577 -17.224 -27.700 1.00 64.12 C ATOM 715 CZ PHE A 44 -0.617 -18.478 -28.279 1.00 25.31 C ATOM 0 H PHE A 44 3.691 -15.954 -27.911 1.00 10.32 H new ATOM 0 HA PHE A 44 3.480 -16.782 -30.723 1.00 11.34 H new ATOM 0 HB2 PHE A 44 2.024 -14.624 -29.148 1.00 75.52 H new ATOM 0 HB3 PHE A 44 1.650 -15.135 -30.782 1.00 75.52 H new ATOM 0 HD1 PHE A 44 1.686 -18.022 -30.695 1.00 24.25 H new ATOM 0 HD2 PHE A 44 0.298 -15.279 -27.745 1.00 3.45 H new ATOM 0 HE1 PHE A 44 0.174 -19.743 -29.809 1.00 75.42 H new ATOM 0 HE2 PHE A 44 -1.212 -16.999 -26.856 1.00 64.12 H new ATOM 0 HZ PHE A 44 -1.285 -19.233 -27.891 1.00 25.31 H new ATOM 725 N ALA A 45 5.621 -14.869 -30.168 1.00 62.43 N ATOM 726 CA ALA A 45 6.562 -13.845 -30.604 1.00 73.42 C ATOM 727 C ALA A 45 6.188 -12.479 -30.037 1.00 35.02 C ATOM 728 O ALA A 45 6.553 -11.444 -30.593 1.00 34.51 O ATOM 729 CB ALA A 45 6.615 -13.790 -32.124 1.00 40.01 C ATOM 0 H ALA A 45 6.031 -15.596 -29.581 1.00 62.43 H new ATOM 0 HA ALA A 45 7.550 -14.109 -30.226 1.00 73.42 H new ATOM 0 HB1 ALA A 45 7.322 -13.021 -32.436 1.00 40.01 H new ATOM 0 HB2 ALA A 45 6.936 -14.757 -32.512 1.00 40.01 H new ATOM 0 HB3 ALA A 45 5.625 -13.553 -32.514 1.00 40.01 H new ATOM 735 N VAL A 46 5.458 -12.484 -28.926 1.00 10.02 N ATOM 736 CA VAL A 46 5.036 -11.246 -28.283 1.00 62.23 C ATOM 737 C VAL A 46 5.609 -11.134 -26.875 1.00 15.14 C ATOM 738 O VAL A 46 5.275 -11.925 -25.994 1.00 22.22 O ATOM 739 CB VAL A 46 3.501 -11.146 -28.210 1.00 52.02 C ATOM 740 CG1 VAL A 46 3.082 -9.867 -27.503 1.00 40.34 C ATOM 741 CG2 VAL A 46 2.895 -11.218 -29.604 1.00 52.00 C ATOM 0 H VAL A 46 5.147 -13.332 -28.453 1.00 10.02 H new ATOM 0 HA VAL A 46 5.417 -10.427 -28.893 1.00 62.23 H new ATOM 0 HB VAL A 46 3.127 -11.991 -27.632 1.00 52.02 H new ATOM 0 HG11 VAL A 46 1.994 -9.814 -27.461 1.00 40.34 H new ATOM 0 HG12 VAL A 46 3.485 -9.862 -26.490 1.00 40.34 H new ATOM 0 HG13 VAL A 46 3.466 -9.006 -28.050 1.00 40.34 H new ATOM 0 HG21 VAL A 46 1.810 -11.146 -29.533 1.00 52.00 H new ATOM 0 HG22 VAL A 46 3.275 -10.395 -30.209 1.00 52.00 H new ATOM 0 HG23 VAL A 46 3.166 -12.165 -30.070 1.00 52.00 H new ATOM 751 N ASN A 47 6.475 -10.146 -26.670 1.00 54.02 N ATOM 752 CA ASN A 47 7.095 -9.931 -25.369 1.00 52.40 C ATOM 753 C ASN A 47 6.040 -9.662 -24.301 1.00 64.21 C ATOM 754 O ASN A 47 5.024 -9.010 -24.547 1.00 50.11 O ATOM 755 CB ASN A 47 8.079 -8.761 -25.437 1.00 50.31 C ATOM 756 CG ASN A 47 9.513 -9.221 -25.621 1.00 73.12 C ATOM 757 OD1 ASN A 47 10.057 -9.942 -24.785 1.00 62.34 O ATOM 758 ND2 ASN A 47 10.131 -8.803 -26.720 1.00 41.32 N ATOM 0 H ASN A 47 6.763 -9.482 -27.389 1.00 54.02 H new ATOM 0 HA ASN A 47 7.637 -10.837 -25.098 1.00 52.40 H new ATOM 0 HB2 ASN A 47 7.802 -8.105 -26.262 1.00 50.31 H new ATOM 0 HB3 ASN A 47 8.004 -8.173 -24.522 1.00 50.31 H new ATOM 0 HD21 ASN A 47 11.097 -9.079 -26.898 1.00 41.32 H new ATOM 0 HD22 ASN A 47 9.640 -8.206 -27.385 1.00 41.32 H new ATOM 765 N PRO A 48 6.284 -10.173 -23.086 1.00 43.33 N ATOM 766 CA PRO A 48 5.367 -10.000 -21.955 1.00 63.11 C ATOM 767 C PRO A 48 5.334 -8.561 -21.450 1.00 51.43 C ATOM 768 O PRO A 48 4.422 -8.168 -20.723 1.00 13.41 O ATOM 769 CB PRO A 48 5.944 -10.929 -20.884 1.00 41.25 C ATOM 770 CG PRO A 48 7.391 -11.043 -21.221 1.00 75.45 C ATOM 771 CD PRO A 48 7.474 -10.960 -22.720 1.00 74.30 C ATOM 0 HA PRO A 48 4.337 -10.229 -22.227 1.00 63.11 H new ATOM 0 HB2 PRO A 48 5.801 -10.518 -19.885 1.00 41.25 H new ATOM 0 HB3 PRO A 48 5.456 -11.903 -20.900 1.00 41.25 H new ATOM 0 HG2 PRO A 48 7.965 -10.243 -20.753 1.00 75.45 H new ATOM 0 HG3 PRO A 48 7.803 -11.985 -20.859 1.00 75.45 H new ATOM 0 HD2 PRO A 48 8.393 -10.473 -23.045 1.00 74.30 H new ATOM 0 HD3 PRO A 48 7.458 -11.949 -23.178 1.00 74.30 H new ATOM 779 N GLY A 49 6.335 -7.778 -21.842 1.00 61.10 N ATOM 780 CA GLY A 49 6.401 -6.391 -21.420 1.00 41.40 C ATOM 781 C GLY A 49 5.235 -5.573 -21.936 1.00 25.41 C ATOM 782 O GLY A 49 4.848 -4.575 -21.325 1.00 22.53 O ATOM 0 H GLY A 49 7.101 -8.080 -22.444 1.00 61.10 H new ATOM 0 HA2 GLY A 49 6.419 -6.346 -20.331 1.00 41.40 H new ATOM 0 HA3 GLY A 49 7.334 -5.951 -21.772 1.00 41.40 H new ATOM 786 N LEU A 50 4.674 -5.991 -23.065 1.00 50.32 N ATOM 787 CA LEU A 50 3.546 -5.288 -23.666 1.00 62.24 C ATOM 788 C LEU A 50 2.389 -5.171 -22.678 1.00 40.31 C ATOM 789 O LEU A 50 1.571 -4.254 -22.768 1.00 12.33 O ATOM 790 CB LEU A 50 3.081 -6.014 -24.929 1.00 62.34 C ATOM 791 CG LEU A 50 4.081 -6.054 -26.086 1.00 73.34 C ATOM 792 CD1 LEU A 50 3.450 -6.694 -27.313 1.00 5.25 C ATOM 793 CD2 LEU A 50 4.578 -4.652 -26.409 1.00 13.21 C ATOM 0 H LEU A 50 4.982 -6.814 -23.583 1.00 50.32 H new ATOM 0 HA LEU A 50 3.876 -4.284 -23.933 1.00 62.24 H new ATOM 0 HB2 LEU A 50 2.824 -7.039 -24.661 1.00 62.34 H new ATOM 0 HB3 LEU A 50 2.166 -5.538 -25.282 1.00 62.34 H new ATOM 0 HG LEU A 50 4.935 -6.660 -25.784 1.00 73.34 H new ATOM 0 HD11 LEU A 50 4.175 -6.714 -28.126 1.00 5.25 H new ATOM 0 HD12 LEU A 50 3.143 -7.712 -27.075 1.00 5.25 H new ATOM 0 HD13 LEU A 50 2.579 -6.115 -27.618 1.00 5.25 H new ATOM 0 HD21 LEU A 50 5.288 -4.699 -27.234 1.00 13.21 H new ATOM 0 HD22 LEU A 50 3.734 -4.023 -26.692 1.00 13.21 H new ATOM 0 HD23 LEU A 50 5.068 -4.229 -25.532 1.00 13.21 H new ATOM 805 N LEU A 51 2.327 -6.104 -21.734 1.00 44.00 N ATOM 806 CA LEU A 51 1.272 -6.105 -20.727 1.00 75.22 C ATOM 807 C LEU A 51 1.558 -5.077 -19.638 1.00 72.05 C ATOM 808 O LEU A 51 0.639 -4.565 -18.998 1.00 33.12 O ATOM 809 CB LEU A 51 1.133 -7.497 -20.106 1.00 31.03 C ATOM 810 CG LEU A 51 0.776 -8.629 -21.070 1.00 74.23 C ATOM 811 CD1 LEU A 51 0.686 -9.953 -20.329 1.00 1.42 C ATOM 812 CD2 LEU A 51 -0.533 -8.327 -21.786 1.00 21.12 C ATOM 0 H LEU A 51 2.995 -6.870 -21.645 1.00 44.00 H new ATOM 0 HA LEU A 51 0.336 -5.837 -21.217 1.00 75.22 H new ATOM 0 HB2 LEU A 51 2.072 -7.749 -19.613 1.00 31.03 H new ATOM 0 HB3 LEU A 51 0.368 -7.452 -19.330 1.00 31.03 H new ATOM 0 HG LEU A 51 1.566 -8.707 -21.817 1.00 74.23 H new ATOM 0 HD11 LEU A 51 0.431 -10.746 -21.031 1.00 1.42 H new ATOM 0 HD12 LEU A 51 1.646 -10.175 -19.863 1.00 1.42 H new ATOM 0 HD13 LEU A 51 -0.084 -9.888 -19.560 1.00 1.42 H new ATOM 0 HD21 LEU A 51 -0.771 -9.143 -22.468 1.00 21.12 H new ATOM 0 HD22 LEU A 51 -1.333 -8.221 -21.053 1.00 21.12 H new ATOM 0 HD23 LEU A 51 -0.433 -7.400 -22.351 1.00 21.12 H new ATOM 824 N GLU A 52 2.837 -4.778 -19.433 1.00 52.10 N ATOM 825 CA GLU A 52 3.242 -3.809 -18.422 1.00 42.41 C ATOM 826 C GLU A 52 2.969 -2.384 -18.893 1.00 20.31 C ATOM 827 O GLU A 52 3.131 -1.425 -18.138 1.00 30.12 O ATOM 828 CB GLU A 52 4.728 -3.973 -18.093 1.00 44.20 C ATOM 829 CG GLU A 52 5.187 -3.128 -16.916 1.00 13.43 C ATOM 830 CD GLU A 52 6.481 -3.633 -16.306 1.00 54.04 C ATOM 831 OE1 GLU A 52 6.674 -4.866 -16.261 1.00 25.01 O ATOM 832 OE2 GLU A 52 7.299 -2.795 -15.874 1.00 42.01 O ATOM 0 H GLU A 52 3.610 -5.193 -19.954 1.00 52.10 H new ATOM 0 HA GLU A 52 2.655 -3.994 -17.523 1.00 42.41 H new ATOM 0 HB2 GLU A 52 4.930 -5.022 -17.877 1.00 44.20 H new ATOM 0 HB3 GLU A 52 5.317 -3.709 -18.971 1.00 44.20 H new ATOM 0 HG2 GLU A 52 5.322 -2.097 -17.244 1.00 13.43 H new ATOM 0 HG3 GLU A 52 4.408 -3.120 -16.153 1.00 13.43 H new ATOM 839 N THR A 53 2.554 -2.251 -20.150 1.00 41.52 N ATOM 840 CA THR A 53 2.259 -0.945 -20.724 1.00 43.01 C ATOM 841 C THR A 53 0.859 -0.911 -21.325 1.00 50.22 C ATOM 842 O THR A 53 0.488 -1.785 -22.108 1.00 44.42 O ATOM 843 CB THR A 53 3.281 -0.566 -21.812 1.00 3.33 C ATOM 844 OG1 THR A 53 3.056 -1.349 -22.990 1.00 3.44 O ATOM 845 CG2 THR A 53 4.704 -0.784 -21.317 1.00 62.35 C ATOM 0 H THR A 53 2.415 -3.033 -20.789 1.00 41.52 H new ATOM 0 HA THR A 53 2.320 -0.222 -19.910 1.00 43.01 H new ATOM 0 HB THR A 53 3.152 0.490 -22.048 1.00 3.33 H new ATOM 0 HG1 THR A 53 2.469 -2.103 -22.774 1.00 3.44 H new ATOM 0 HG21 THR A 53 5.408 -0.510 -22.102 1.00 62.35 H new ATOM 0 HG22 THR A 53 4.882 -0.165 -20.437 1.00 62.35 H new ATOM 0 HG23 THR A 53 4.842 -1.833 -21.056 1.00 62.35 H new ATOM 853 N SER A 54 0.085 0.104 -20.954 1.00 62.21 N ATOM 854 CA SER A 54 -1.276 0.249 -21.454 1.00 61.44 C ATOM 855 C SER A 54 -1.297 0.260 -22.980 1.00 24.33 C ATOM 856 O SER A 54 -2.294 -0.105 -23.600 1.00 63.11 O ATOM 857 CB SER A 54 -1.905 1.537 -20.916 1.00 55.31 C ATOM 858 OG SER A 54 -3.287 1.358 -20.655 1.00 30.43 O ATOM 0 H SER A 54 0.378 0.838 -20.309 1.00 62.21 H new ATOM 0 HA SER A 54 -1.857 -0.605 -21.106 1.00 61.44 H new ATOM 0 HB2 SER A 54 -1.395 1.840 -20.002 1.00 55.31 H new ATOM 0 HB3 SER A 54 -1.769 2.342 -21.639 1.00 55.31 H new ATOM 0 HG SER A 54 -3.666 2.194 -20.311 1.00 30.43 H new ATOM 864 N GLU A 55 -0.186 0.682 -23.577 1.00 72.13 N ATOM 865 CA GLU A 55 -0.077 0.741 -25.030 1.00 0.35 C ATOM 866 C GLU A 55 0.157 -0.650 -25.614 1.00 73.41 C ATOM 867 O GLU A 55 -0.430 -1.013 -26.633 1.00 52.21 O ATOM 868 CB GLU A 55 1.064 1.675 -25.440 1.00 60.00 C ATOM 869 CG GLU A 55 0.646 3.132 -25.552 1.00 13.40 C ATOM 870 CD GLU A 55 1.466 3.897 -26.571 1.00 33.34 C ATOM 871 OE1 GLU A 55 1.145 3.816 -27.775 1.00 0.43 O ATOM 872 OE2 GLU A 55 2.431 4.579 -26.165 1.00 43.23 O ATOM 0 H GLU A 55 0.649 0.987 -23.078 1.00 72.13 H new ATOM 0 HA GLU A 55 -1.016 1.130 -25.424 1.00 0.35 H new ATOM 0 HB2 GLU A 55 1.870 1.592 -24.711 1.00 60.00 H new ATOM 0 HB3 GLU A 55 1.465 1.346 -26.398 1.00 60.00 H new ATOM 0 HG2 GLU A 55 -0.408 3.184 -25.826 1.00 13.40 H new ATOM 0 HG3 GLU A 55 0.746 3.611 -24.578 1.00 13.40 H new ATOM 879 N GLY A 56 1.018 -1.423 -24.962 1.00 2.52 N ATOM 880 CA GLY A 56 1.314 -2.765 -25.432 1.00 5.00 C ATOM 881 C GLY A 56 0.092 -3.662 -25.433 1.00 23.12 C ATOM 882 O GLY A 56 -0.134 -4.412 -26.383 1.00 23.32 O ATOM 0 H GLY A 56 1.517 -1.145 -24.117 1.00 2.52 H new ATOM 0 HA2 GLY A 56 1.722 -2.711 -26.441 1.00 5.00 H new ATOM 0 HA3 GLY A 56 2.084 -3.206 -24.800 1.00 5.00 H new ATOM 886 N CYS A 57 -0.696 -3.586 -24.367 1.00 2.20 N ATOM 887 CA CYS A 57 -1.900 -4.400 -24.247 1.00 60.33 C ATOM 888 C CYS A 57 -2.808 -4.209 -25.459 1.00 2.51 C ATOM 889 O CYS A 57 -3.257 -5.179 -26.069 1.00 43.12 O ATOM 890 CB CYS A 57 -2.657 -4.042 -22.968 1.00 42.43 C ATOM 891 SG CYS A 57 -2.354 -5.175 -21.591 1.00 43.33 S ATOM 0 H CYS A 57 -0.523 -2.969 -23.573 1.00 2.20 H new ATOM 0 HA CYS A 57 -1.598 -5.446 -24.202 1.00 60.33 H new ATOM 0 HB2 CYS A 57 -2.378 -3.033 -22.663 1.00 42.43 H new ATOM 0 HB3 CYS A 57 -3.725 -4.026 -23.183 1.00 42.43 H new ATOM 0 HG CYS A 57 -3.035 -4.789 -20.553 1.00 43.33 H new ATOM 897 N ARG A 58 -3.073 -2.953 -25.801 1.00 24.42 N ATOM 898 CA ARG A 58 -3.929 -2.634 -26.938 1.00 41.51 C ATOM 899 C ARG A 58 -3.447 -3.348 -28.197 1.00 22.24 C ATOM 900 O ARG A 58 -4.245 -3.898 -28.954 1.00 32.52 O ATOM 901 CB ARG A 58 -3.960 -1.124 -27.173 1.00 31.14 C ATOM 902 CG ARG A 58 -5.364 -0.553 -27.287 1.00 21.33 C ATOM 903 CD ARG A 58 -5.602 0.071 -28.653 1.00 33.15 C ATOM 904 NE ARG A 58 -4.626 1.115 -28.956 1.00 13.43 N ATOM 905 CZ ARG A 58 -4.640 2.319 -28.397 1.00 24.12 C ATOM 906 NH1 ARG A 58 -5.574 2.630 -27.508 1.00 11.21 N ATOM 907 NH2 ARG A 58 -3.717 3.215 -28.723 1.00 51.31 N ATOM 0 H ARG A 58 -2.707 -2.139 -25.307 1.00 24.42 H new ATOM 0 HA ARG A 58 -4.938 -2.978 -26.710 1.00 41.51 H new ATOM 0 HB2 ARG A 58 -3.440 -0.627 -26.354 1.00 31.14 H new ATOM 0 HB3 ARG A 58 -3.409 -0.896 -28.085 1.00 31.14 H new ATOM 0 HG2 ARG A 58 -6.095 -1.343 -27.114 1.00 21.33 H new ATOM 0 HG3 ARG A 58 -5.517 0.197 -26.511 1.00 21.33 H new ATOM 0 HD2 ARG A 58 -5.554 -0.703 -29.419 1.00 33.15 H new ATOM 0 HD3 ARG A 58 -6.607 0.493 -28.689 1.00 33.15 H new ATOM 0 HE ARG A 58 -3.893 0.907 -29.635 1.00 13.43 H new ATOM 0 HH11 ARG A 58 -6.284 1.943 -27.252 1.00 11.21 H new ATOM 0 HH12 ARG A 58 -5.583 3.556 -27.080 1.00 11.21 H new ATOM 0 HH21 ARG A 58 -2.995 2.979 -29.404 1.00 51.31 H new ATOM 0 HH22 ARG A 58 -3.729 4.140 -28.293 1.00 51.31 H new ATOM 921 N GLN A 59 -2.135 -3.331 -28.414 1.00 13.22 N ATOM 922 CA GLN A 59 -1.547 -3.976 -29.583 1.00 63.00 C ATOM 923 C GLN A 59 -1.810 -5.478 -29.567 1.00 72.01 C ATOM 924 O GLN A 59 -1.938 -6.106 -30.619 1.00 63.14 O ATOM 925 CB GLN A 59 -0.042 -3.710 -29.634 1.00 2.43 C ATOM 926 CG GLN A 59 0.424 -3.097 -30.945 1.00 1.42 C ATOM 927 CD GLN A 59 1.112 -1.760 -30.752 1.00 31.13 C ATOM 928 OE1 GLN A 59 2.249 -1.696 -30.284 1.00 4.24 O ATOM 929 NE2 GLN A 59 0.425 -0.683 -31.113 1.00 70.53 N ATOM 0 H GLN A 59 -1.460 -2.879 -27.797 1.00 13.22 H new ATOM 0 HA GLN A 59 -2.014 -3.554 -30.473 1.00 63.00 H new ATOM 0 HB2 GLN A 59 0.229 -3.044 -28.815 1.00 2.43 H new ATOM 0 HB3 GLN A 59 0.490 -4.647 -29.472 1.00 2.43 H new ATOM 0 HG2 GLN A 59 1.109 -3.785 -31.441 1.00 1.42 H new ATOM 0 HG3 GLN A 59 -0.433 -2.968 -31.606 1.00 1.42 H new ATOM 0 HE21 GLN A 59 -0.515 -0.783 -31.497 1.00 70.53 H new ATOM 0 HE22 GLN A 59 0.837 0.244 -31.007 1.00 70.53 H new ATOM 938 N ILE A 60 -1.890 -6.047 -28.369 1.00 31.55 N ATOM 939 CA ILE A 60 -2.138 -7.475 -28.218 1.00 62.42 C ATOM 940 C ILE A 60 -3.606 -7.806 -28.465 1.00 55.32 C ATOM 941 O ILE A 60 -3.928 -8.729 -29.216 1.00 31.54 O ATOM 942 CB ILE A 60 -1.742 -7.969 -26.814 1.00 53.51 C ATOM 943 CG1 ILE A 60 -0.268 -7.663 -26.539 1.00 13.02 C ATOM 944 CG2 ILE A 60 -2.013 -9.461 -26.682 1.00 13.24 C ATOM 945 CD1 ILE A 60 0.107 -7.761 -25.077 1.00 74.34 C ATOM 0 H ILE A 60 -1.787 -5.541 -27.489 1.00 31.55 H new ATOM 0 HA ILE A 60 -1.523 -7.983 -28.960 1.00 62.42 H new ATOM 0 HB ILE A 60 -2.347 -7.443 -26.075 1.00 53.51 H new ATOM 0 HG12 ILE A 60 0.351 -8.354 -27.112 1.00 13.02 H new ATOM 0 HG13 ILE A 60 -0.041 -6.659 -26.898 1.00 13.02 H new ATOM 0 HG21 ILE A 60 -1.728 -9.796 -25.685 1.00 13.24 H new ATOM 0 HG22 ILE A 60 -3.074 -9.653 -26.840 1.00 13.24 H new ATOM 0 HG23 ILE A 60 -1.431 -10.004 -27.427 1.00 13.24 H new ATOM 0 HD11 ILE A 60 1.166 -7.531 -24.957 1.00 74.34 H new ATOM 0 HD12 ILE A 60 -0.486 -7.051 -24.501 1.00 74.34 H new ATOM 0 HD13 ILE A 60 -0.088 -8.772 -24.718 1.00 74.34 H new ATOM 957 N LEU A 61 -4.493 -7.048 -27.831 1.00 55.02 N ATOM 958 CA LEU A 61 -5.929 -7.260 -27.984 1.00 31.33 C ATOM 959 C LEU A 61 -6.359 -7.048 -29.433 1.00 43.53 C ATOM 960 O LEU A 61 -7.359 -7.607 -29.881 1.00 11.33 O ATOM 961 CB LEU A 61 -6.704 -6.312 -27.068 1.00 45.43 C ATOM 962 CG LEU A 61 -6.434 -6.458 -25.569 1.00 41.22 C ATOM 963 CD1 LEU A 61 -6.763 -5.166 -24.839 1.00 60.32 C ATOM 964 CD2 LEU A 61 -7.236 -7.617 -24.993 1.00 30.43 C ATOM 0 H LEU A 61 -4.244 -6.281 -27.206 1.00 55.02 H new ATOM 0 HA LEU A 61 -6.151 -8.290 -27.704 1.00 31.33 H new ATOM 0 HB2 LEU A 61 -6.474 -5.287 -27.360 1.00 45.43 H new ATOM 0 HB3 LEU A 61 -7.770 -6.461 -27.241 1.00 45.43 H new ATOM 0 HG LEU A 61 -5.374 -6.670 -25.429 1.00 41.22 H new ATOM 0 HD11 LEU A 61 -6.565 -5.289 -23.774 1.00 60.32 H new ATOM 0 HD12 LEU A 61 -6.145 -4.359 -25.232 1.00 60.32 H new ATOM 0 HD13 LEU A 61 -7.815 -4.923 -24.986 1.00 60.32 H new ATOM 0 HD21 LEU A 61 -7.032 -7.706 -23.926 1.00 30.43 H new ATOM 0 HD22 LEU A 61 -8.300 -7.434 -25.145 1.00 30.43 H new ATOM 0 HD23 LEU A 61 -6.951 -8.542 -25.495 1.00 30.43 H new ATOM 976 N GLY A 62 -5.595 -6.239 -30.160 1.00 3.30 N ATOM 977 CA GLY A 62 -5.912 -5.970 -31.550 1.00 40.22 C ATOM 978 C GLY A 62 -5.777 -7.202 -32.424 1.00 51.24 C ATOM 979 O GLY A 62 -6.422 -7.302 -33.469 1.00 44.24 O ATOM 0 H GLY A 62 -4.762 -5.765 -29.811 1.00 3.30 H new ATOM 0 HA2 GLY A 62 -6.931 -5.588 -31.620 1.00 40.22 H new ATOM 0 HA3 GLY A 62 -5.252 -5.188 -31.925 1.00 40.22 H new ATOM 983 N GLN A 63 -4.938 -8.139 -31.997 1.00 0.32 N ATOM 984 CA GLN A 63 -4.720 -9.369 -32.751 1.00 24.21 C ATOM 985 C GLN A 63 -5.694 -10.456 -32.311 1.00 54.12 C ATOM 986 O GLN A 63 -6.215 -11.207 -33.137 1.00 54.53 O ATOM 987 CB GLN A 63 -3.280 -9.854 -32.569 1.00 2.01 C ATOM 988 CG GLN A 63 -2.430 -9.718 -33.822 1.00 42.33 C ATOM 989 CD GLN A 63 -2.246 -11.037 -34.547 1.00 30.54 C ATOM 990 OE1 GLN A 63 -1.184 -11.657 -34.471 1.00 52.12 O ATOM 991 NE2 GLN A 63 -3.280 -11.472 -35.257 1.00 1.13 N ATOM 0 H GLN A 63 -4.398 -8.071 -31.134 1.00 0.32 H new ATOM 0 HA GLN A 63 -4.894 -9.156 -33.806 1.00 24.21 H new ATOM 0 HB2 GLN A 63 -2.815 -9.289 -31.761 1.00 2.01 H new ATOM 0 HB3 GLN A 63 -3.294 -10.899 -32.261 1.00 2.01 H new ATOM 0 HG2 GLN A 63 -2.895 -8.999 -34.496 1.00 42.33 H new ATOM 0 HG3 GLN A 63 -1.453 -9.316 -33.552 1.00 42.33 H new ATOM 0 HE21 GLN A 63 -4.141 -10.926 -35.292 1.00 1.13 H new ATOM 0 HE22 GLN A 63 -3.214 -12.352 -35.768 1.00 1.13 H new ATOM 1000 N LEU A 64 -5.936 -10.536 -31.008 1.00 43.12 N ATOM 1001 CA LEU A 64 -6.848 -11.533 -30.458 1.00 71.35 C ATOM 1002 C LEU A 64 -8.299 -11.158 -30.743 1.00 45.12 C ATOM 1003 O LEU A 64 -9.172 -12.024 -30.810 1.00 13.14 O ATOM 1004 CB LEU A 64 -6.633 -11.675 -28.951 1.00 24.34 C ATOM 1005 CG LEU A 64 -5.180 -11.803 -28.489 1.00 35.33 C ATOM 1006 CD1 LEU A 64 -5.089 -11.689 -26.976 1.00 62.23 C ATOM 1007 CD2 LEU A 64 -4.584 -13.120 -28.964 1.00 71.25 C ATOM 0 H LEU A 64 -5.513 -9.922 -30.312 1.00 43.12 H new ATOM 0 HA LEU A 64 -6.636 -12.488 -30.940 1.00 71.35 H new ATOM 0 HB2 LEU A 64 -7.075 -10.809 -28.458 1.00 24.34 H new ATOM 0 HB3 LEU A 64 -7.181 -12.552 -28.607 1.00 24.34 H new ATOM 0 HG LEU A 64 -4.606 -10.988 -28.929 1.00 35.33 H new ATOM 0 HD11 LEU A 64 -4.048 -11.782 -26.666 1.00 62.23 H new ATOM 0 HD12 LEU A 64 -5.476 -10.720 -26.660 1.00 62.23 H new ATOM 0 HD13 LEU A 64 -5.677 -12.483 -26.515 1.00 62.23 H new ATOM 0 HD21 LEU A 64 -3.550 -13.194 -28.627 1.00 71.25 H new ATOM 0 HD22 LEU A 64 -5.160 -13.949 -28.553 1.00 71.25 H new ATOM 0 HD23 LEU A 64 -4.614 -13.161 -30.053 1.00 71.25 H new ATOM 1019 N GLN A 65 -8.549 -9.864 -30.911 1.00 20.13 N ATOM 1020 CA GLN A 65 -9.894 -9.375 -31.190 1.00 13.12 C ATOM 1021 C GLN A 65 -10.510 -10.122 -32.368 1.00 21.40 C ATOM 1022 O GLN A 65 -11.534 -10.795 -32.242 1.00 3.22 O ATOM 1023 CB GLN A 65 -9.865 -7.874 -31.480 1.00 13.24 C ATOM 1024 CG GLN A 65 -10.424 -7.024 -30.351 1.00 42.31 C ATOM 1025 CD GLN A 65 -10.808 -5.630 -30.805 1.00 71.22 C ATOM 1026 OE1 GLN A 65 -11.067 -5.398 -31.986 1.00 3.01 O ATOM 1027 NE2 GLN A 65 -10.848 -4.691 -29.867 1.00 45.31 N ATOM 0 H GLN A 65 -7.838 -9.135 -30.859 1.00 20.13 H new ATOM 0 HA GLN A 65 -10.509 -9.554 -30.308 1.00 13.12 H new ATOM 0 HB2 GLN A 65 -8.837 -7.571 -31.677 1.00 13.24 H new ATOM 0 HB3 GLN A 65 -10.435 -7.677 -32.388 1.00 13.24 H new ATOM 0 HG2 GLN A 65 -11.299 -7.518 -29.928 1.00 42.31 H new ATOM 0 HG3 GLN A 65 -9.683 -6.951 -29.555 1.00 42.31 H new ATOM 0 HE21 GLN A 65 -10.626 -4.927 -28.900 1.00 45.31 H new ATOM 0 HE22 GLN A 65 -11.101 -3.734 -30.114 1.00 45.31 H new ATOM 1036 N PRO A 66 -9.876 -10.001 -33.544 1.00 4.35 N ATOM 1037 CA PRO A 66 -10.344 -10.657 -34.768 1.00 21.33 C ATOM 1038 C PRO A 66 -10.168 -12.171 -34.717 1.00 33.05 C ATOM 1039 O PRO A 66 -10.794 -12.903 -35.484 1.00 3.42 O ATOM 1040 CB PRO A 66 -9.455 -10.052 -35.857 1.00 22.43 C ATOM 1041 CG PRO A 66 -8.215 -9.632 -35.145 1.00 42.00 C ATOM 1042 CD PRO A 66 -8.651 -9.214 -33.767 1.00 13.14 C ATOM 0 HA PRO A 66 -11.410 -10.500 -34.933 1.00 21.33 H new ATOM 0 HB2 PRO A 66 -9.236 -10.780 -36.638 1.00 22.43 H new ATOM 0 HB3 PRO A 66 -9.941 -9.204 -36.339 1.00 22.43 H new ATOM 0 HG2 PRO A 66 -7.497 -10.450 -35.096 1.00 42.00 H new ATOM 0 HG3 PRO A 66 -7.725 -8.809 -35.666 1.00 42.00 H new ATOM 0 HD2 PRO A 66 -7.889 -9.436 -33.020 1.00 13.14 H new ATOM 0 HD3 PRO A 66 -8.846 -8.143 -33.715 1.00 13.14 H new ATOM 1050 N SER A 67 -9.314 -12.633 -33.810 1.00 1.21 N ATOM 1051 CA SER A 67 -9.054 -14.061 -33.663 1.00 62.21 C ATOM 1052 C SER A 67 -9.839 -14.637 -32.488 1.00 1.12 C ATOM 1053 O SER A 67 -9.437 -15.634 -31.887 1.00 22.42 O ATOM 1054 CB SER A 67 -7.558 -14.310 -33.462 1.00 22.20 C ATOM 1055 OG SER A 67 -6.785 -13.510 -34.340 1.00 24.52 O ATOM 0 H SER A 67 -8.790 -12.040 -33.166 1.00 1.21 H new ATOM 0 HA SER A 67 -9.379 -14.561 -34.575 1.00 62.21 H new ATOM 0 HB2 SER A 67 -7.285 -14.090 -32.430 1.00 22.20 H new ATOM 0 HB3 SER A 67 -7.335 -15.363 -33.633 1.00 22.20 H new ATOM 0 HG SER A 67 -6.787 -12.582 -34.024 1.00 24.52 H new ATOM 1061 N LEU A 68 -10.961 -14.003 -32.167 1.00 72.53 N ATOM 1062 CA LEU A 68 -11.805 -14.450 -31.065 1.00 0.42 C ATOM 1063 C LEU A 68 -12.703 -15.603 -31.500 1.00 14.51 C ATOM 1064 O LEU A 68 -13.045 -16.473 -30.699 1.00 73.41 O ATOM 1065 CB LEU A 68 -12.658 -13.292 -30.545 1.00 0.44 C ATOM 1066 CG LEU A 68 -12.094 -12.527 -29.347 1.00 41.33 C ATOM 1067 CD1 LEU A 68 -12.771 -11.172 -29.212 1.00 50.12 C ATOM 1068 CD2 LEU A 68 -12.260 -13.339 -28.070 1.00 72.23 C ATOM 0 H LEU A 68 -11.308 -13.177 -32.655 1.00 72.53 H new ATOM 0 HA LEU A 68 -11.156 -14.802 -30.263 1.00 0.42 H new ATOM 0 HB2 LEU A 68 -12.813 -12.586 -31.361 1.00 0.44 H new ATOM 0 HB3 LEU A 68 -13.638 -13.683 -30.272 1.00 0.44 H new ATOM 0 HG LEU A 68 -11.029 -12.363 -29.513 1.00 41.33 H new ATOM 0 HD11 LEU A 68 -12.357 -10.642 -28.354 1.00 50.12 H new ATOM 0 HD12 LEU A 68 -12.600 -10.588 -30.116 1.00 50.12 H new ATOM 0 HD13 LEU A 68 -13.842 -11.313 -29.068 1.00 50.12 H new ATOM 0 HD21 LEU A 68 -11.853 -12.780 -27.228 1.00 72.23 H new ATOM 0 HD22 LEU A 68 -13.318 -13.535 -27.898 1.00 72.23 H new ATOM 0 HD23 LEU A 68 -11.727 -14.285 -28.168 1.00 72.23 H new ATOM 1080 N GLN A 69 -13.079 -15.605 -32.775 1.00 35.24 N ATOM 1081 CA GLN A 69 -13.937 -16.652 -33.318 1.00 4.32 C ATOM 1082 C GLN A 69 -13.128 -17.905 -33.637 1.00 74.43 C ATOM 1083 O GLN A 69 -13.561 -19.025 -33.360 1.00 62.22 O ATOM 1084 CB GLN A 69 -14.650 -16.155 -34.577 1.00 44.53 C ATOM 1085 CG GLN A 69 -15.648 -17.152 -35.143 1.00 33.23 C ATOM 1086 CD GLN A 69 -16.763 -16.483 -35.923 1.00 3.31 C ATOM 1087 OE1 GLN A 69 -16.697 -15.290 -36.223 1.00 41.32 O ATOM 1088 NE2 GLN A 69 -17.795 -17.249 -36.256 1.00 44.21 N ATOM 0 H GLN A 69 -12.803 -14.893 -33.451 1.00 35.24 H new ATOM 0 HA GLN A 69 -14.683 -16.905 -32.564 1.00 4.32 H new ATOM 0 HB2 GLN A 69 -15.169 -15.224 -34.347 1.00 44.53 H new ATOM 0 HB3 GLN A 69 -13.906 -15.925 -35.340 1.00 44.53 H new ATOM 0 HG2 GLN A 69 -15.126 -17.854 -35.793 1.00 33.23 H new ATOM 0 HG3 GLN A 69 -16.078 -17.733 -34.327 1.00 33.23 H new ATOM 0 HE21 GLN A 69 -17.808 -18.233 -35.987 1.00 44.21 H new ATOM 0 HE22 GLN A 69 -18.575 -16.854 -36.781 1.00 44.21 H new ATOM 1097 N THR A 70 -11.951 -17.711 -34.225 1.00 73.03 N ATOM 1098 CA THR A 70 -11.084 -18.825 -34.585 1.00 51.22 C ATOM 1099 C THR A 70 -10.018 -19.057 -33.521 1.00 3.50 C ATOM 1100 O THR A 70 -8.950 -19.599 -33.805 1.00 74.30 O ATOM 1101 CB THR A 70 -10.395 -18.586 -35.941 1.00 73.45 C ATOM 1102 OG1 THR A 70 -11.122 -17.607 -36.694 1.00 5.24 O ATOM 1103 CG2 THR A 70 -10.305 -19.879 -36.738 1.00 64.41 C ATOM 0 H THR A 70 -11.577 -16.792 -34.462 1.00 73.03 H new ATOM 0 HA THR A 70 -11.719 -19.708 -34.659 1.00 51.22 H new ATOM 0 HB THR A 70 -9.385 -18.223 -35.751 1.00 73.45 H new ATOM 0 HG1 THR A 70 -10.677 -17.459 -37.554 1.00 5.24 H new ATOM 0 HG21 THR A 70 -9.815 -19.685 -37.692 1.00 64.41 H new ATOM 0 HG22 THR A 70 -9.728 -20.613 -36.176 1.00 64.41 H new ATOM 0 HG23 THR A 70 -11.308 -20.266 -36.918 1.00 64.41 H new ATOM 1111 N GLY A 71 -10.314 -18.644 -32.292 1.00 65.22 N ATOM 1112 CA GLY A 71 -9.370 -18.816 -31.203 1.00 11.12 C ATOM 1113 C GLY A 71 -9.776 -19.925 -30.253 1.00 14.41 C ATOM 1114 O GLY A 71 -10.963 -20.125 -29.994 1.00 63.13 O ATOM 0 H GLY A 71 -11.191 -18.193 -32.031 1.00 65.22 H new ATOM 0 HA2 GLY A 71 -8.384 -19.035 -31.612 1.00 11.12 H new ATOM 0 HA3 GLY A 71 -9.284 -17.881 -30.649 1.00 11.12 H new ATOM 1118 N SER A 72 -8.790 -20.649 -29.734 1.00 74.23 N ATOM 1119 CA SER A 72 -9.052 -21.747 -28.811 1.00 13.35 C ATOM 1120 C SER A 72 -9.023 -21.261 -27.366 1.00 41.22 C ATOM 1121 O SER A 72 -8.942 -20.061 -27.105 1.00 10.12 O ATOM 1122 CB SER A 72 -8.023 -22.862 -29.007 1.00 50.31 C ATOM 1123 OG SER A 72 -6.931 -22.711 -28.116 1.00 22.21 O ATOM 0 H SER A 72 -7.802 -20.495 -29.937 1.00 74.23 H new ATOM 0 HA SER A 72 -10.047 -22.138 -29.024 1.00 13.35 H new ATOM 0 HB2 SER A 72 -8.497 -23.830 -28.846 1.00 50.31 H new ATOM 0 HB3 SER A 72 -7.662 -22.851 -30.035 1.00 50.31 H new ATOM 0 HG SER A 72 -6.288 -23.437 -28.260 1.00 22.21 H new ATOM 1129 N GLU A 73 -9.089 -22.203 -26.430 1.00 4.10 N ATOM 1130 CA GLU A 73 -9.071 -21.870 -25.010 1.00 20.03 C ATOM 1131 C GLU A 73 -7.838 -21.042 -24.661 1.00 62.02 C ATOM 1132 O GLU A 73 -7.847 -20.274 -23.699 1.00 20.41 O ATOM 1133 CB GLU A 73 -9.098 -23.145 -24.164 1.00 10.21 C ATOM 1134 CG GLU A 73 -10.435 -23.398 -23.486 1.00 1.21 C ATOM 1135 CD GLU A 73 -10.356 -24.478 -22.425 1.00 24.23 C ATOM 1136 OE1 GLU A 73 -9.686 -24.251 -21.396 1.00 51.33 O ATOM 1137 OE2 GLU A 73 -10.964 -25.550 -22.624 1.00 2.32 O ATOM 0 H GLU A 73 -9.155 -23.201 -26.629 1.00 4.10 H new ATOM 0 HA GLU A 73 -9.959 -21.278 -24.791 1.00 20.03 H new ATOM 0 HB2 GLU A 73 -8.855 -23.997 -24.799 1.00 10.21 H new ATOM 0 HB3 GLU A 73 -8.320 -23.082 -23.403 1.00 10.21 H new ATOM 0 HG2 GLU A 73 -10.788 -22.473 -23.031 1.00 1.21 H new ATOM 0 HG3 GLU A 73 -11.171 -23.685 -24.237 1.00 1.21 H new ATOM 1144 N GLU A 74 -6.780 -21.204 -25.448 1.00 14.52 N ATOM 1145 CA GLU A 74 -5.540 -20.473 -25.221 1.00 32.11 C ATOM 1146 C GLU A 74 -5.722 -18.987 -25.521 1.00 12.13 C ATOM 1147 O GLU A 74 -5.407 -18.132 -24.693 1.00 13.53 O ATOM 1148 CB GLU A 74 -4.417 -21.045 -26.089 1.00 54.33 C ATOM 1149 CG GLU A 74 -3.978 -22.440 -25.674 1.00 4.05 C ATOM 1150 CD GLU A 74 -2.931 -23.023 -26.604 1.00 44.44 C ATOM 1151 OE1 GLU A 74 -2.529 -22.323 -27.557 1.00 52.42 O ATOM 1152 OE2 GLU A 74 -2.514 -24.178 -26.378 1.00 75.31 O ATOM 0 H GLU A 74 -6.757 -21.835 -26.249 1.00 14.52 H new ATOM 0 HA GLU A 74 -5.270 -20.585 -24.171 1.00 32.11 H new ATOM 0 HB2 GLU A 74 -4.749 -21.071 -27.127 1.00 54.33 H new ATOM 0 HB3 GLU A 74 -3.558 -20.375 -26.046 1.00 54.33 H new ATOM 0 HG2 GLU A 74 -3.579 -22.405 -24.660 1.00 4.05 H new ATOM 0 HG3 GLU A 74 -4.846 -23.099 -25.652 1.00 4.05 H new ATOM 1159 N LEU A 75 -6.231 -18.688 -26.712 1.00 4.52 N ATOM 1160 CA LEU A 75 -6.454 -17.307 -27.123 1.00 63.35 C ATOM 1161 C LEU A 75 -7.535 -16.653 -26.268 1.00 32.40 C ATOM 1162 O LEU A 75 -7.386 -15.513 -25.827 1.00 64.13 O ATOM 1163 CB LEU A 75 -6.852 -17.251 -28.599 1.00 44.24 C ATOM 1164 CG LEU A 75 -6.450 -15.985 -29.355 1.00 21.33 C ATOM 1165 CD1 LEU A 75 -5.905 -16.336 -30.731 1.00 5.25 C ATOM 1166 CD2 LEU A 75 -7.633 -15.036 -29.475 1.00 44.25 C ATOM 0 H LEU A 75 -6.497 -19.384 -27.409 1.00 4.52 H new ATOM 0 HA LEU A 75 -5.523 -16.757 -26.983 1.00 63.35 H new ATOM 0 HB2 LEU A 75 -6.410 -18.109 -29.106 1.00 44.24 H new ATOM 0 HB3 LEU A 75 -7.934 -17.363 -28.667 1.00 44.24 H new ATOM 0 HG LEU A 75 -5.663 -15.483 -28.791 1.00 21.33 H new ATOM 0 HD11 LEU A 75 -5.624 -15.422 -31.255 1.00 5.25 H new ATOM 0 HD12 LEU A 75 -5.030 -16.976 -30.623 1.00 5.25 H new ATOM 0 HD13 LEU A 75 -6.670 -16.861 -31.302 1.00 5.25 H new ATOM 0 HD21 LEU A 75 -7.328 -14.140 -30.016 1.00 44.25 H new ATOM 0 HD22 LEU A 75 -8.441 -15.529 -30.016 1.00 44.25 H new ATOM 0 HD23 LEU A 75 -7.979 -14.758 -28.479 1.00 44.25 H new ATOM 1178 N ARG A 76 -8.621 -17.382 -26.037 1.00 42.11 N ATOM 1179 CA ARG A 76 -9.727 -16.874 -25.234 1.00 4.11 C ATOM 1180 C ARG A 76 -9.238 -16.419 -23.862 1.00 21.21 C ATOM 1181 O ARG A 76 -9.468 -15.280 -23.456 1.00 3.33 O ATOM 1182 CB ARG A 76 -10.805 -17.947 -25.073 1.00 53.02 C ATOM 1183 CG ARG A 76 -12.201 -17.465 -25.432 1.00 40.42 C ATOM 1184 CD ARG A 76 -12.858 -16.744 -24.264 1.00 34.30 C ATOM 1185 NE ARG A 76 -13.366 -17.675 -23.261 1.00 55.22 N ATOM 1186 CZ ARG A 76 -14.057 -17.298 -22.191 1.00 61.04 C ATOM 1187 NH1 ARG A 76 -14.322 -16.015 -21.988 1.00 52.30 N ATOM 1188 NH2 ARG A 76 -14.485 -18.205 -21.322 1.00 12.21 N ATOM 0 H ARG A 76 -8.759 -18.327 -26.395 1.00 42.11 H new ATOM 0 HA ARG A 76 -10.154 -16.015 -25.752 1.00 4.11 H new ATOM 0 HB2 ARG A 76 -10.552 -18.801 -25.701 1.00 53.02 H new ATOM 0 HB3 ARG A 76 -10.805 -18.298 -24.041 1.00 53.02 H new ATOM 0 HG2 ARG A 76 -12.147 -16.796 -26.290 1.00 40.42 H new ATOM 0 HG3 ARG A 76 -12.816 -18.315 -25.729 1.00 40.42 H new ATOM 0 HD2 ARG A 76 -12.136 -16.071 -23.801 1.00 34.30 H new ATOM 0 HD3 ARG A 76 -13.677 -16.127 -24.634 1.00 34.30 H new ATOM 0 HE ARG A 76 -13.180 -18.670 -23.389 1.00 55.22 H new ATOM 0 HH11 ARG A 76 -13.995 -15.315 -22.654 1.00 52.30 H new ATOM 0 HH12 ARG A 76 -14.853 -15.728 -21.166 1.00 52.30 H new ATOM 0 HH21 ARG A 76 -14.283 -19.193 -21.475 1.00 12.21 H new ATOM 0 HH22 ARG A 76 -15.015 -17.914 -20.501 1.00 12.21 H new ATOM 1202 N SER A 77 -8.564 -17.319 -23.152 1.00 62.50 N ATOM 1203 CA SER A 77 -8.046 -17.011 -21.824 1.00 40.52 C ATOM 1204 C SER A 77 -7.220 -15.729 -21.845 1.00 71.11 C ATOM 1205 O SER A 77 -7.319 -14.897 -20.942 1.00 14.25 O ATOM 1206 CB SER A 77 -7.194 -18.172 -21.305 1.00 65.34 C ATOM 1207 OG SER A 77 -7.990 -19.121 -20.618 1.00 63.13 O ATOM 0 H SER A 77 -8.364 -18.266 -23.474 1.00 62.50 H new ATOM 0 HA SER A 77 -8.894 -16.864 -21.156 1.00 40.52 H new ATOM 0 HB2 SER A 77 -6.685 -18.655 -22.139 1.00 65.34 H new ATOM 0 HB3 SER A 77 -6.421 -17.790 -20.638 1.00 65.34 H new ATOM 0 HG SER A 77 -7.423 -19.853 -20.298 1.00 63.13 H new ATOM 1213 N LEU A 78 -6.405 -15.575 -22.884 1.00 43.34 N ATOM 1214 CA LEU A 78 -5.561 -14.394 -23.025 1.00 3.54 C ATOM 1215 C LEU A 78 -6.401 -13.121 -23.033 1.00 72.21 C ATOM 1216 O LEU A 78 -6.200 -12.227 -22.211 1.00 23.40 O ATOM 1217 CB LEU A 78 -4.736 -14.484 -24.310 1.00 65.31 C ATOM 1218 CG LEU A 78 -3.264 -14.858 -24.139 1.00 4.24 C ATOM 1219 CD1 LEU A 78 -2.563 -13.864 -23.226 1.00 11.34 C ATOM 1220 CD2 LEU A 78 -3.134 -16.272 -23.591 1.00 33.24 C ATOM 0 H LEU A 78 -6.311 -16.253 -23.640 1.00 43.34 H new ATOM 0 HA LEU A 78 -4.887 -14.355 -22.170 1.00 3.54 H new ATOM 0 HB2 LEU A 78 -5.203 -15.218 -24.967 1.00 65.31 H new ATOM 0 HB3 LEU A 78 -4.789 -13.522 -24.820 1.00 65.31 H new ATOM 0 HG LEU A 78 -2.784 -14.823 -25.117 1.00 4.24 H new ATOM 0 HD11 LEU A 78 -1.516 -14.147 -23.116 1.00 11.34 H new ATOM 0 HD12 LEU A 78 -2.626 -12.866 -23.659 1.00 11.34 H new ATOM 0 HD13 LEU A 78 -3.044 -13.866 -22.248 1.00 11.34 H new ATOM 0 HD21 LEU A 78 -2.079 -16.522 -23.475 1.00 33.24 H new ATOM 0 HD22 LEU A 78 -3.630 -16.334 -22.622 1.00 33.24 H new ATOM 0 HD23 LEU A 78 -3.600 -16.974 -24.282 1.00 33.24 H new ATOM 1232 N TYR A 79 -7.344 -13.048 -23.966 1.00 24.11 N ATOM 1233 CA TYR A 79 -8.215 -11.884 -24.081 1.00 53.51 C ATOM 1234 C TYR A 79 -8.866 -11.556 -22.740 1.00 33.44 C ATOM 1235 O TYR A 79 -9.161 -10.398 -22.450 1.00 60.32 O ATOM 1236 CB TYR A 79 -9.294 -12.133 -25.137 1.00 71.34 C ATOM 1237 CG TYR A 79 -9.805 -10.868 -25.789 1.00 34.33 C ATOM 1238 CD1 TYR A 79 -8.971 -10.084 -26.577 1.00 63.30 C ATOM 1239 CD2 TYR A 79 -11.121 -10.456 -25.617 1.00 33.25 C ATOM 1240 CE1 TYR A 79 -9.433 -8.927 -27.175 1.00 64.14 C ATOM 1241 CE2 TYR A 79 -11.591 -9.301 -26.213 1.00 51.23 C ATOM 1242 CZ TYR A 79 -10.743 -8.541 -26.990 1.00 73.55 C ATOM 1243 OH TYR A 79 -11.209 -7.389 -27.583 1.00 22.43 O ATOM 0 H TYR A 79 -7.525 -13.780 -24.653 1.00 24.11 H new ATOM 0 HA TYR A 79 -7.606 -11.033 -24.386 1.00 53.51 H new ATOM 0 HB2 TYR A 79 -8.892 -12.792 -25.907 1.00 71.34 H new ATOM 0 HB3 TYR A 79 -10.130 -12.657 -24.674 1.00 71.34 H new ATOM 0 HD1 TYR A 79 -7.944 -10.384 -26.725 1.00 63.30 H new ATOM 0 HD2 TYR A 79 -11.788 -11.048 -25.007 1.00 33.25 H new ATOM 0 HE1 TYR A 79 -8.771 -8.329 -27.784 1.00 64.14 H new ATOM 0 HE2 TYR A 79 -12.617 -8.995 -26.071 1.00 51.23 H new ATOM 0 HH TYR A 79 -12.153 -7.262 -27.353 1.00 22.43 H new ATOM 1253 N ASN A 80 -9.084 -12.584 -21.928 1.00 11.11 N ATOM 1254 CA ASN A 80 -9.698 -12.406 -20.617 1.00 74.34 C ATOM 1255 C ASN A 80 -8.765 -11.649 -19.677 1.00 54.44 C ATOM 1256 O ASN A 80 -9.141 -10.631 -19.097 1.00 63.50 O ATOM 1257 CB ASN A 80 -10.061 -13.763 -20.012 1.00 11.00 C ATOM 1258 CG ASN A 80 -11.554 -14.023 -20.028 1.00 51.41 C ATOM 1259 OD1 ASN A 80 -12.237 -13.728 -21.009 1.00 23.21 O ATOM 1260 ND2 ASN A 80 -12.069 -14.580 -18.938 1.00 62.23 N ATOM 0 H ASN A 80 -8.845 -13.549 -22.154 1.00 11.11 H new ATOM 0 HA ASN A 80 -10.607 -11.819 -20.746 1.00 74.34 H new ATOM 0 HB2 ASN A 80 -9.552 -14.552 -20.565 1.00 11.00 H new ATOM 0 HB3 ASN A 80 -9.698 -13.809 -18.985 1.00 11.00 H new ATOM 0 HD21 ASN A 80 -13.068 -14.780 -18.891 1.00 62.23 H new ATOM 0 HD22 ASN A 80 -11.465 -14.808 -18.148 1.00 62.23 H new ATOM 1267 N THR A 81 -7.544 -12.155 -19.531 1.00 63.41 N ATOM 1268 CA THR A 81 -6.557 -11.528 -18.662 1.00 43.12 C ATOM 1269 C THR A 81 -6.143 -10.161 -19.195 1.00 42.12 C ATOM 1270 O THR A 81 -6.210 -9.160 -18.480 1.00 51.13 O ATOM 1271 CB THR A 81 -5.302 -12.409 -18.511 1.00 21.42 C ATOM 1272 OG1 THR A 81 -5.674 -13.722 -18.079 1.00 24.05 O ATOM 1273 CG2 THR A 81 -4.329 -11.798 -17.514 1.00 43.50 C ATOM 0 H THR A 81 -7.216 -12.997 -20.004 1.00 63.41 H new ATOM 0 HA THR A 81 -7.027 -11.407 -17.686 1.00 43.12 H new ATOM 0 HB THR A 81 -4.811 -12.472 -19.482 1.00 21.42 H new ATOM 0 HG1 THR A 81 -4.871 -14.276 -17.987 1.00 24.05 H new ATOM 0 HG21 THR A 81 -3.451 -12.437 -17.424 1.00 43.50 H new ATOM 0 HG22 THR A 81 -4.025 -10.810 -17.861 1.00 43.50 H new ATOM 0 HG23 THR A 81 -4.813 -11.708 -16.542 1.00 43.50 H new ATOM 1281 N ILE A 82 -5.717 -10.126 -20.452 1.00 33.53 N ATOM 1282 CA ILE A 82 -5.296 -8.880 -21.081 1.00 4.35 C ATOM 1283 C ILE A 82 -6.368 -7.805 -20.944 1.00 73.41 C ATOM 1284 O ILE A 82 -6.065 -6.613 -20.907 1.00 31.43 O ATOM 1285 CB ILE A 82 -4.973 -9.083 -22.572 1.00 74.42 C ATOM 1286 CG1 ILE A 82 -3.875 -10.135 -22.741 1.00 31.53 C ATOM 1287 CG2 ILE A 82 -4.555 -7.765 -23.208 1.00 33.12 C ATOM 1288 CD1 ILE A 82 -3.793 -10.702 -24.141 1.00 72.11 C ATOM 0 H ILE A 82 -5.654 -10.946 -21.056 1.00 33.53 H new ATOM 0 HA ILE A 82 -4.393 -8.555 -20.564 1.00 4.35 H new ATOM 0 HB ILE A 82 -5.871 -9.439 -23.077 1.00 74.42 H new ATOM 0 HG12 ILE A 82 -2.914 -9.691 -22.481 1.00 31.53 H new ATOM 0 HG13 ILE A 82 -4.051 -10.949 -22.038 1.00 31.53 H new ATOM 0 HG21 ILE A 82 -4.330 -7.925 -24.262 1.00 33.12 H new ATOM 0 HG22 ILE A 82 -5.366 -7.043 -23.116 1.00 33.12 H new ATOM 0 HG23 ILE A 82 -3.669 -7.382 -22.702 1.00 33.12 H new ATOM 0 HD11 ILE A 82 -2.993 -11.441 -24.188 1.00 72.11 H new ATOM 0 HD12 ILE A 82 -4.741 -11.176 -24.398 1.00 72.11 H new ATOM 0 HD13 ILE A 82 -3.586 -9.898 -24.848 1.00 72.11 H new ATOM 1300 N ALA A 83 -7.623 -8.235 -20.869 1.00 13.41 N ATOM 1301 CA ALA A 83 -8.741 -7.310 -20.734 1.00 12.30 C ATOM 1302 C ALA A 83 -8.753 -6.662 -19.354 1.00 61.32 C ATOM 1303 O ALA A 83 -8.619 -5.444 -19.228 1.00 44.44 O ATOM 1304 CB ALA A 83 -10.057 -8.030 -20.992 1.00 2.23 C ATOM 0 H ALA A 83 -7.891 -9.219 -20.899 1.00 13.41 H new ATOM 0 HA ALA A 83 -8.619 -6.521 -21.477 1.00 12.30 H new ATOM 0 HB1 ALA A 83 -10.883 -7.327 -20.888 1.00 2.23 H new ATOM 0 HB2 ALA A 83 -10.055 -8.441 -22.002 1.00 2.23 H new ATOM 0 HB3 ALA A 83 -10.176 -8.839 -20.272 1.00 2.23 H new ATOM 1310 N VAL A 84 -8.914 -7.482 -18.320 1.00 13.11 N ATOM 1311 CA VAL A 84 -8.942 -6.988 -16.949 1.00 15.34 C ATOM 1312 C VAL A 84 -7.706 -6.153 -16.640 1.00 24.42 C ATOM 1313 O VAL A 84 -7.783 -5.148 -15.930 1.00 72.31 O ATOM 1314 CB VAL A 84 -9.031 -8.146 -15.937 1.00 54.33 C ATOM 1315 CG1 VAL A 84 -9.031 -7.613 -14.514 1.00 44.14 C ATOM 1316 CG2 VAL A 84 -10.271 -8.989 -16.200 1.00 23.52 C ATOM 0 H VAL A 84 -9.027 -8.492 -18.406 1.00 13.11 H new ATOM 0 HA VAL A 84 -9.831 -6.364 -16.856 1.00 15.34 H new ATOM 0 HB VAL A 84 -8.154 -8.782 -16.061 1.00 54.33 H new ATOM 0 HG11 VAL A 84 -9.094 -8.446 -13.814 1.00 44.14 H new ATOM 0 HG12 VAL A 84 -8.111 -7.057 -14.334 1.00 44.14 H new ATOM 0 HG13 VAL A 84 -9.887 -6.954 -14.372 1.00 44.14 H new ATOM 0 HG21 VAL A 84 -10.318 -9.802 -15.476 1.00 23.52 H new ATOM 0 HG22 VAL A 84 -11.161 -8.367 -16.105 1.00 23.52 H new ATOM 0 HG23 VAL A 84 -10.223 -9.402 -17.207 1.00 23.52 H new ATOM 1326 N LEU A 85 -6.565 -6.572 -17.177 1.00 75.33 N ATOM 1327 CA LEU A 85 -5.310 -5.861 -16.960 1.00 61.22 C ATOM 1328 C LEU A 85 -5.318 -4.512 -17.672 1.00 2.45 C ATOM 1329 O LEU A 85 -5.068 -3.473 -17.060 1.00 3.11 O ATOM 1330 CB LEU A 85 -4.132 -6.703 -17.452 1.00 74.31 C ATOM 1331 CG LEU A 85 -2.760 -6.334 -16.886 1.00 75.22 C ATOM 1332 CD1 LEU A 85 -2.568 -6.951 -15.510 1.00 22.23 C ATOM 1333 CD2 LEU A 85 -1.656 -6.781 -17.832 1.00 32.24 C ATOM 0 H LEU A 85 -6.483 -7.401 -17.766 1.00 75.33 H new ATOM 0 HA LEU A 85 -5.201 -5.686 -15.890 1.00 61.22 H new ATOM 0 HB2 LEU A 85 -4.333 -7.747 -17.212 1.00 74.31 H new ATOM 0 HB3 LEU A 85 -4.087 -6.628 -18.538 1.00 74.31 H new ATOM 0 HG LEU A 85 -2.708 -5.250 -16.786 1.00 75.22 H new ATOM 0 HD11 LEU A 85 -1.586 -6.678 -15.123 1.00 22.23 H new ATOM 0 HD12 LEU A 85 -3.340 -6.582 -14.835 1.00 22.23 H new ATOM 0 HD13 LEU A 85 -2.640 -8.036 -15.585 1.00 22.23 H new ATOM 0 HD21 LEU A 85 -0.687 -6.510 -17.414 1.00 32.24 H new ATOM 0 HD22 LEU A 85 -1.705 -7.862 -17.964 1.00 32.24 H new ATOM 0 HD23 LEU A 85 -1.784 -6.291 -18.797 1.00 32.24 H new ATOM 1345 N TYR A 86 -5.608 -4.535 -18.968 1.00 75.23 N ATOM 1346 CA TYR A 86 -5.650 -3.313 -19.764 1.00 12.35 C ATOM 1347 C TYR A 86 -6.549 -2.268 -19.113 1.00 45.22 C ATOM 1348 O TYR A 86 -6.162 -1.109 -18.959 1.00 63.02 O ATOM 1349 CB TYR A 86 -6.145 -3.619 -21.179 1.00 22.14 C ATOM 1350 CG TYR A 86 -6.367 -2.383 -22.022 1.00 11.24 C ATOM 1351 CD1 TYR A 86 -5.297 -1.709 -22.597 1.00 11.31 C ATOM 1352 CD2 TYR A 86 -7.647 -1.891 -22.244 1.00 5.03 C ATOM 1353 CE1 TYR A 86 -5.495 -0.579 -23.368 1.00 50.11 C ATOM 1354 CE2 TYR A 86 -7.855 -0.762 -23.013 1.00 13.32 C ATOM 1355 CZ TYR A 86 -6.776 -0.111 -23.574 1.00 64.04 C ATOM 1356 OH TYR A 86 -6.978 1.014 -24.341 1.00 71.01 O ATOM 0 H TYR A 86 -5.817 -5.386 -19.490 1.00 75.23 H new ATOM 0 HA TYR A 86 -4.639 -2.910 -19.819 1.00 12.35 H new ATOM 0 HB2 TYR A 86 -5.421 -4.263 -21.677 1.00 22.14 H new ATOM 0 HB3 TYR A 86 -7.078 -4.178 -21.116 1.00 22.14 H new ATOM 0 HD1 TYR A 86 -4.293 -2.074 -22.439 1.00 11.31 H new ATOM 0 HD2 TYR A 86 -8.494 -2.400 -21.808 1.00 5.03 H new ATOM 0 HE1 TYR A 86 -4.652 -0.066 -23.806 1.00 50.11 H new ATOM 0 HE2 TYR A 86 -8.857 -0.391 -23.174 1.00 13.32 H new ATOM 0 HH TYR A 86 -7.937 1.210 -24.388 1.00 71.01 H new ATOM 1366 N CYS A 87 -7.751 -2.687 -18.731 1.00 21.04 N ATOM 1367 CA CYS A 87 -8.708 -1.787 -18.096 1.00 24.04 C ATOM 1368 C CYS A 87 -8.073 -1.070 -16.908 1.00 74.25 C ATOM 1369 O CYS A 87 -8.361 0.099 -16.650 1.00 41.02 O ATOM 1370 CB CYS A 87 -9.942 -2.564 -17.638 1.00 54.11 C ATOM 1371 SG CYS A 87 -11.216 -2.742 -18.909 1.00 11.42 S ATOM 0 H CYS A 87 -8.086 -3.643 -18.850 1.00 21.04 H new ATOM 0 HA CYS A 87 -9.010 -1.039 -18.830 1.00 24.04 H new ATOM 0 HB2 CYS A 87 -9.632 -3.556 -17.308 1.00 54.11 H new ATOM 0 HB3 CYS A 87 -10.375 -2.061 -16.773 1.00 54.11 H new ATOM 0 HG CYS A 87 -12.354 -3.020 -18.346 1.00 11.42 H new ATOM 1377 N VAL A 88 -7.211 -1.780 -16.187 1.00 64.41 N ATOM 1378 CA VAL A 88 -6.536 -1.211 -15.026 1.00 71.44 C ATOM 1379 C VAL A 88 -5.564 -0.111 -15.439 1.00 72.12 C ATOM 1380 O VAL A 88 -5.570 0.981 -14.870 1.00 31.44 O ATOM 1381 CB VAL A 88 -5.769 -2.290 -14.239 1.00 12.23 C ATOM 1382 CG1 VAL A 88 -5.070 -1.676 -13.035 1.00 15.32 C ATOM 1383 CG2 VAL A 88 -6.710 -3.406 -13.809 1.00 22.33 C ATOM 0 H VAL A 88 -6.964 -2.749 -16.386 1.00 64.41 H new ATOM 0 HA VAL A 88 -7.310 -0.786 -14.387 1.00 71.44 H new ATOM 0 HB VAL A 88 -5.008 -2.719 -14.891 1.00 12.23 H new ATOM 0 HG11 VAL A 88 -4.533 -2.453 -12.491 1.00 15.32 H new ATOM 0 HG12 VAL A 88 -4.365 -0.916 -13.372 1.00 15.32 H new ATOM 0 HG13 VAL A 88 -5.810 -1.219 -12.379 1.00 15.32 H new ATOM 0 HG21 VAL A 88 -6.151 -4.160 -13.254 1.00 22.33 H new ATOM 0 HG22 VAL A 88 -7.495 -2.996 -13.174 1.00 22.33 H new ATOM 0 HG23 VAL A 88 -7.159 -3.863 -14.691 1.00 22.33 H new ATOM 1393 N HIS A 89 -4.732 -0.406 -16.432 1.00 12.20 N ATOM 1394 CA HIS A 89 -3.753 0.559 -16.923 1.00 41.52 C ATOM 1395 C HIS A 89 -4.447 1.802 -17.472 1.00 74.32 C ATOM 1396 O HIS A 89 -3.907 2.888 -17.264 1.00 31.34 O ATOM 1397 CB HIS A 89 -2.881 -0.074 -18.007 1.00 11.11 C ATOM 1398 CG HIS A 89 -1.952 -1.128 -17.489 1.00 2.22 C ATOM 1399 ND1 HIS A 89 -1.539 -1.188 -16.175 1.00 11.11 N ATOM 1400 CD2 HIS A 89 -1.355 -2.169 -18.116 1.00 23.34 C ATOM 1401 CE1 HIS A 89 -0.729 -2.219 -16.016 1.00 20.23 C ATOM 1402 NE2 HIS A 89 -0.600 -2.831 -17.180 1.00 14.02 N ATOM 0 H HIS A 89 -4.715 -1.305 -16.913 1.00 12.20 H new ATOM 0 HA HIS A 89 -3.120 0.856 -16.087 1.00 41.52 H new ATOM 0 HB2 HIS A 89 -3.525 -0.512 -18.770 1.00 11.11 H new ATOM 0 HB3 HIS A 89 -2.296 0.707 -18.493 1.00 11.11 H new ATOM 0 HD1 HIS A 89 -1.816 -0.537 -15.440 1.00 11.11 H new ATOM 0 HD2 HIS A 89 -1.454 -2.430 -19.159 1.00 23.34 H new ATOM 0 HE1 HIS A 89 -0.253 -2.512 -15.092 1.00 20.23 H new ATOM 1411 N GLN A 90 -5.587 1.676 -18.145 1.00 65.23 N ATOM 1412 CA GLN A 90 -6.284 2.835 -18.689 1.00 65.41 C ATOM 1413 C GLN A 90 -6.970 3.628 -17.581 1.00 4.50 C ATOM 1414 O GLN A 90 -6.541 4.728 -17.234 1.00 21.43 O ATOM 1415 CB GLN A 90 -7.314 2.395 -19.730 1.00 51.24 C ATOM 1416 CG GLN A 90 -6.838 2.555 -21.164 1.00 24.05 C ATOM 1417 CD GLN A 90 -7.397 3.798 -21.829 1.00 32.32 C ATOM 1418 OE1 GLN A 90 -7.883 4.709 -21.159 1.00 33.30 O ATOM 1419 NE2 GLN A 90 -7.329 3.840 -23.155 1.00 20.33 N ATOM 0 H GLN A 90 -6.047 0.784 -18.326 1.00 65.23 H new ATOM 0 HA GLN A 90 -5.546 3.479 -19.168 1.00 65.41 H new ATOM 0 HB2 GLN A 90 -7.570 1.350 -19.556 1.00 51.24 H new ATOM 0 HB3 GLN A 90 -8.227 2.974 -19.593 1.00 51.24 H new ATOM 0 HG2 GLN A 90 -5.749 2.598 -21.179 1.00 24.05 H new ATOM 0 HG3 GLN A 90 -7.130 1.677 -21.740 1.00 24.05 H new ATOM 0 HE21 GLN A 90 -6.917 3.061 -23.669 1.00 20.33 H new ATOM 0 HE22 GLN A 90 -7.688 4.651 -23.659 1.00 20.33 H new ATOM 1428 N ARG A 91 -8.037 3.061 -17.028 1.00 42.20 N ATOM 1429 CA ARG A 91 -8.783 3.716 -15.960 1.00 51.23 C ATOM 1430 C ARG A 91 -9.946 2.843 -15.496 1.00 43.01 C ATOM 1431 O ARG A 91 -10.288 2.825 -14.313 1.00 21.15 O ATOM 1432 CB ARG A 91 -9.306 5.073 -16.432 1.00 52.22 C ATOM 1433 CG ARG A 91 -9.939 5.035 -17.814 1.00 62.20 C ATOM 1434 CD ARG A 91 -11.147 5.955 -17.900 1.00 2.43 C ATOM 1435 NE ARG A 91 -12.019 5.611 -19.019 1.00 15.14 N ATOM 1436 CZ ARG A 91 -13.293 5.975 -19.096 1.00 54.34 C ATOM 1437 NH1 ARG A 91 -13.843 6.690 -18.124 1.00 30.13 N ATOM 1438 NH2 ARG A 91 -14.023 5.623 -20.147 1.00 73.42 N ATOM 0 H ARG A 91 -8.404 2.150 -17.302 1.00 42.20 H new ATOM 0 HA ARG A 91 -8.107 3.868 -15.119 1.00 51.23 H new ATOM 0 HB2 ARG A 91 -10.041 5.439 -15.715 1.00 52.22 H new ATOM 0 HB3 ARG A 91 -8.483 5.788 -16.438 1.00 52.22 H new ATOM 0 HG2 ARG A 91 -9.202 5.330 -18.561 1.00 62.20 H new ATOM 0 HG3 ARG A 91 -10.240 4.014 -18.049 1.00 62.20 H new ATOM 0 HD2 ARG A 91 -11.712 5.899 -16.970 1.00 2.43 H new ATOM 0 HD3 ARG A 91 -10.810 6.986 -18.007 1.00 2.43 H new ATOM 0 HE ARG A 91 -11.628 5.061 -19.784 1.00 15.14 H new ATOM 0 HH11 ARG A 91 -13.287 6.962 -17.314 1.00 30.13 H new ATOM 0 HH12 ARG A 91 -14.822 6.968 -18.187 1.00 30.13 H new ATOM 0 HH21 ARG A 91 -13.605 5.072 -20.897 1.00 73.42 H new ATOM 0 HH22 ARG A 91 -15.002 5.903 -20.205 1.00 73.42 H new ATOM 1452 N ILE A 92 -10.551 2.123 -16.434 1.00 34.41 N ATOM 1453 CA ILE A 92 -11.674 1.249 -16.122 1.00 64.14 C ATOM 1454 C ILE A 92 -11.335 0.309 -14.971 1.00 73.10 C ATOM 1455 O ILE A 92 -10.319 -0.385 -15.002 1.00 42.20 O ATOM 1456 CB ILE A 92 -12.096 0.414 -17.345 1.00 61.21 C ATOM 1457 CG1 ILE A 92 -12.422 1.330 -18.527 1.00 22.55 C ATOM 1458 CG2 ILE A 92 -13.291 -0.462 -17.002 1.00 60.03 C ATOM 1459 CD1 ILE A 92 -11.351 1.341 -19.597 1.00 41.42 C ATOM 0 H ILE A 92 -10.282 2.128 -17.418 1.00 34.41 H new ATOM 0 HA ILE A 92 -12.503 1.893 -15.830 1.00 64.14 H new ATOM 0 HB ILE A 92 -11.266 -0.233 -17.629 1.00 61.21 H new ATOM 0 HG12 ILE A 92 -13.365 1.014 -18.972 1.00 22.55 H new ATOM 0 HG13 ILE A 92 -12.568 2.346 -18.160 1.00 22.55 H new ATOM 0 HG21 ILE A 92 -13.577 -1.046 -17.877 1.00 60.03 H new ATOM 0 HG22 ILE A 92 -13.026 -1.135 -16.187 1.00 60.03 H new ATOM 0 HG23 ILE A 92 -14.127 0.167 -16.696 1.00 60.03 H new ATOM 0 HD11 ILE A 92 -11.649 2.011 -20.403 1.00 41.42 H new ATOM 0 HD12 ILE A 92 -10.411 1.686 -19.167 1.00 41.42 H new ATOM 0 HD13 ILE A 92 -11.221 0.333 -19.992 1.00 41.42 H new ATOM 1471 N ASP A 93 -12.194 0.289 -13.957 1.00 72.23 N ATOM 1472 CA ASP A 93 -11.988 -0.569 -12.797 1.00 13.51 C ATOM 1473 C ASP A 93 -13.138 -1.558 -12.640 1.00 14.14 C ATOM 1474 O ASP A 93 -13.772 -1.628 -11.587 1.00 54.34 O ATOM 1475 CB ASP A 93 -11.849 0.276 -11.529 1.00 51.11 C ATOM 1476 CG ASP A 93 -10.480 0.916 -11.407 1.00 73.43 C ATOM 1477 OD1 ASP A 93 -9.714 0.872 -12.392 1.00 0.24 O ATOM 1478 OD2 ASP A 93 -10.176 1.463 -10.327 1.00 41.04 O ATOM 0 H ASP A 93 -13.040 0.858 -13.916 1.00 72.23 H new ATOM 0 HA ASP A 93 -11.068 -1.132 -12.952 1.00 13.51 H new ATOM 0 HB2 ASP A 93 -12.612 1.054 -11.529 1.00 51.11 H new ATOM 0 HB3 ASP A 93 -12.033 -0.351 -10.656 1.00 51.11 H new ATOM 1483 N VAL A 94 -13.404 -2.321 -13.696 1.00 31.42 N ATOM 1484 CA VAL A 94 -14.478 -3.306 -13.677 1.00 13.30 C ATOM 1485 C VAL A 94 -14.350 -4.236 -12.475 1.00 71.21 C ATOM 1486 O VAL A 94 -13.329 -4.243 -11.788 1.00 11.24 O ATOM 1487 CB VAL A 94 -14.489 -4.150 -14.966 1.00 62.33 C ATOM 1488 CG1 VAL A 94 -14.624 -3.256 -16.188 1.00 34.10 C ATOM 1489 CG2 VAL A 94 -13.233 -5.003 -15.054 1.00 4.23 C ATOM 0 H VAL A 94 -12.890 -2.275 -14.576 1.00 31.42 H new ATOM 0 HA VAL A 94 -15.414 -2.752 -13.606 1.00 13.30 H new ATOM 0 HB VAL A 94 -15.351 -4.816 -14.937 1.00 62.33 H new ATOM 0 HG11 VAL A 94 -14.630 -3.870 -17.089 1.00 34.10 H new ATOM 0 HG12 VAL A 94 -15.555 -2.693 -16.126 1.00 34.10 H new ATOM 0 HG13 VAL A 94 -13.783 -2.563 -16.227 1.00 34.10 H new ATOM 0 HG21 VAL A 94 -13.257 -5.593 -15.970 1.00 4.23 H new ATOM 0 HG22 VAL A 94 -12.355 -4.358 -15.061 1.00 4.23 H new ATOM 0 HG23 VAL A 94 -13.186 -5.671 -14.194 1.00 4.23 H new ATOM 1499 N LYS A 95 -15.394 -5.020 -12.227 1.00 0.35 N ATOM 1500 CA LYS A 95 -15.399 -5.956 -11.108 1.00 30.45 C ATOM 1501 C LYS A 95 -15.043 -7.364 -11.576 1.00 53.14 C ATOM 1502 O LYS A 95 -14.486 -8.157 -10.818 1.00 54.23 O ATOM 1503 CB LYS A 95 -16.769 -5.963 -10.429 1.00 75.02 C ATOM 1504 CG LYS A 95 -17.858 -6.615 -11.264 1.00 52.12 C ATOM 1505 CD LYS A 95 -19.186 -6.643 -10.525 1.00 61.02 C ATOM 1506 CE LYS A 95 -20.351 -6.367 -11.462 1.00 50.24 C ATOM 1507 NZ LYS A 95 -20.531 -4.910 -11.711 1.00 30.35 N ATOM 0 H LYS A 95 -16.247 -5.026 -12.786 1.00 0.35 H new ATOM 0 HA LYS A 95 -14.647 -5.630 -10.390 1.00 30.45 H new ATOM 0 HB2 LYS A 95 -16.690 -6.487 -9.476 1.00 75.02 H new ATOM 0 HB3 LYS A 95 -17.060 -4.937 -10.205 1.00 75.02 H new ATOM 0 HG2 LYS A 95 -17.974 -6.071 -12.201 1.00 52.12 H new ATOM 0 HG3 LYS A 95 -17.562 -7.632 -11.520 1.00 52.12 H new ATOM 0 HD2 LYS A 95 -19.320 -7.616 -10.053 1.00 61.02 H new ATOM 0 HD3 LYS A 95 -19.175 -5.900 -9.727 1.00 61.02 H new ATOM 0 HE2 LYS A 95 -20.184 -6.879 -12.410 1.00 50.24 H new ATOM 0 HE3 LYS A 95 -21.266 -6.778 -11.035 1.00 50.24 H new ATOM 0 HZ1 LYS A 95 -21.535 -4.661 -11.606 1.00 30.35 H new ATOM 0 HZ2 LYS A 95 -19.966 -4.368 -11.026 1.00 30.35 H new ATOM 0 HZ3 LYS A 95 -20.217 -4.681 -12.676 1.00 30.35 H new ATOM 1521 N ASP A 96 -15.369 -7.666 -12.828 1.00 74.22 N ATOM 1522 CA ASP A 96 -15.083 -8.978 -13.397 1.00 21.21 C ATOM 1523 C ASP A 96 -14.477 -8.844 -14.791 1.00 12.24 C ATOM 1524 O ASP A 96 -14.259 -7.737 -15.282 1.00 31.22 O ATOM 1525 CB ASP A 96 -16.357 -9.820 -13.461 1.00 64.55 C ATOM 1526 CG ASP A 96 -17.571 -9.005 -13.863 1.00 64.31 C ATOM 1527 OD1 ASP A 96 -17.484 -8.267 -14.867 1.00 20.03 O ATOM 1528 OD2 ASP A 96 -18.607 -9.104 -13.173 1.00 32.01 O ATOM 0 H ASP A 96 -15.831 -7.020 -13.468 1.00 74.22 H new ATOM 0 HA ASP A 96 -14.360 -9.477 -12.751 1.00 21.21 H new ATOM 0 HB2 ASP A 96 -16.216 -10.633 -14.174 1.00 64.55 H new ATOM 0 HB3 ASP A 96 -16.536 -10.277 -12.488 1.00 64.55 H new ATOM 1533 N THR A 97 -14.205 -9.981 -15.424 1.00 13.41 N ATOM 1534 CA THR A 97 -13.622 -9.993 -16.760 1.00 61.22 C ATOM 1535 C THR A 97 -14.672 -9.679 -17.820 1.00 51.23 C ATOM 1536 O THR A 97 -14.358 -9.124 -18.873 1.00 73.13 O ATOM 1537 CB THR A 97 -12.977 -11.354 -17.080 1.00 4.33 C ATOM 1538 OG1 THR A 97 -12.083 -11.732 -16.027 1.00 70.40 O ATOM 1539 CG2 THR A 97 -12.221 -11.298 -18.399 1.00 22.04 C ATOM 0 H THR A 97 -14.379 -10.906 -15.032 1.00 13.41 H new ATOM 0 HA THR A 97 -12.851 -9.222 -16.775 1.00 61.22 H new ATOM 0 HB THR A 97 -13.771 -12.096 -17.166 1.00 4.33 H new ATOM 0 HG1 THR A 97 -12.204 -12.682 -15.820 1.00 70.40 H new ATOM 0 HG21 THR A 97 -11.774 -12.271 -18.604 1.00 22.04 H new ATOM 0 HG22 THR A 97 -12.910 -11.039 -19.203 1.00 22.04 H new ATOM 0 HG23 THR A 97 -11.436 -10.544 -18.337 1.00 22.04 H new ATOM 1547 N LYS A 98 -15.919 -10.037 -17.535 1.00 75.41 N ATOM 1548 CA LYS A 98 -17.017 -9.791 -18.463 1.00 54.35 C ATOM 1549 C LYS A 98 -17.208 -8.296 -18.697 1.00 54.33 C ATOM 1550 O LYS A 98 -17.265 -7.841 -19.839 1.00 21.41 O ATOM 1551 CB LYS A 98 -18.312 -10.404 -17.926 1.00 52.32 C ATOM 1552 CG LYS A 98 -19.481 -10.297 -18.890 1.00 75.15 C ATOM 1553 CD LYS A 98 -19.969 -11.667 -19.331 1.00 4.14 C ATOM 1554 CE LYS A 98 -21.013 -11.560 -20.431 1.00 74.22 C ATOM 1555 NZ LYS A 98 -21.032 -12.771 -21.299 1.00 63.31 N ATOM 0 H LYS A 98 -16.195 -10.499 -16.668 1.00 75.41 H new ATOM 0 HA LYS A 98 -16.767 -10.260 -19.415 1.00 54.35 H new ATOM 0 HB2 LYS A 98 -18.138 -11.455 -17.694 1.00 52.32 H new ATOM 0 HB3 LYS A 98 -18.577 -9.911 -16.991 1.00 52.32 H new ATOM 0 HG2 LYS A 98 -20.298 -9.755 -18.414 1.00 75.15 H new ATOM 0 HG3 LYS A 98 -19.181 -9.718 -19.764 1.00 75.15 H new ATOM 0 HD2 LYS A 98 -19.125 -12.258 -19.686 1.00 4.14 H new ATOM 0 HD3 LYS A 98 -20.392 -12.196 -18.477 1.00 4.14 H new ATOM 0 HE2 LYS A 98 -21.997 -11.418 -19.985 1.00 74.22 H new ATOM 0 HE3 LYS A 98 -20.809 -10.680 -21.041 1.00 74.22 H new ATOM 0 HZ1 LYS A 98 -21.757 -12.658 -22.036 1.00 63.31 H new ATOM 0 HZ2 LYS A 98 -20.101 -12.893 -21.745 1.00 63.31 H new ATOM 0 HZ3 LYS A 98 -21.252 -13.608 -20.722 1.00 63.31 H new ATOM 1569 N GLU A 99 -17.306 -7.539 -17.609 1.00 11.51 N ATOM 1570 CA GLU A 99 -17.490 -6.096 -17.698 1.00 0.20 C ATOM 1571 C GLU A 99 -16.417 -5.463 -18.579 1.00 52.43 C ATOM 1572 O GLU A 99 -16.713 -4.634 -19.437 1.00 60.44 O ATOM 1573 CB GLU A 99 -17.455 -5.469 -16.302 1.00 34.31 C ATOM 1574 CG GLU A 99 -18.812 -5.431 -15.618 1.00 4.44 C ATOM 1575 CD GLU A 99 -19.296 -4.019 -15.357 1.00 30.33 C ATOM 1576 OE1 GLU A 99 -19.166 -3.169 -16.264 1.00 15.45 O ATOM 1577 OE2 GLU A 99 -19.805 -3.761 -14.246 1.00 35.23 O ATOM 0 H GLU A 99 -17.261 -7.901 -16.656 1.00 11.51 H new ATOM 0 HA GLU A 99 -18.464 -5.907 -18.150 1.00 0.20 H new ATOM 0 HB2 GLU A 99 -16.759 -6.030 -15.678 1.00 34.31 H new ATOM 0 HB3 GLU A 99 -17.067 -4.453 -16.379 1.00 34.31 H new ATOM 0 HG2 GLU A 99 -19.542 -5.952 -16.238 1.00 4.44 H new ATOM 0 HG3 GLU A 99 -18.753 -5.971 -14.673 1.00 4.44 H new ATOM 1584 N ALA A 100 -15.168 -5.862 -18.358 1.00 55.41 N ATOM 1585 CA ALA A 100 -14.051 -5.337 -19.133 1.00 25.41 C ATOM 1586 C ALA A 100 -14.217 -5.647 -20.617 1.00 22.21 C ATOM 1587 O ALA A 100 -13.780 -4.878 -21.474 1.00 61.11 O ATOM 1588 CB ALA A 100 -12.738 -5.905 -18.616 1.00 10.55 C ATOM 0 H ALA A 100 -14.905 -6.547 -17.649 1.00 55.41 H new ATOM 0 HA ALA A 100 -14.037 -4.253 -19.016 1.00 25.41 H new ATOM 0 HB1 ALA A 100 -11.912 -5.505 -19.204 1.00 10.55 H new ATOM 0 HB2 ALA A 100 -12.608 -5.627 -17.570 1.00 10.55 H new ATOM 0 HB3 ALA A 100 -12.752 -6.991 -18.703 1.00 10.55 H new ATOM 1594 N LEU A 101 -14.849 -6.777 -20.913 1.00 22.22 N ATOM 1595 CA LEU A 101 -15.072 -7.189 -22.294 1.00 1.13 C ATOM 1596 C LEU A 101 -16.098 -6.287 -22.973 1.00 4.12 C ATOM 1597 O LEU A 101 -15.836 -5.721 -24.033 1.00 21.55 O ATOM 1598 CB LEU A 101 -15.543 -8.644 -22.343 1.00 74.23 C ATOM 1599 CG LEU A 101 -14.757 -9.573 -23.268 1.00 32.33 C ATOM 1600 CD1 LEU A 101 -14.924 -9.149 -24.719 1.00 34.40 C ATOM 1601 CD2 LEU A 101 -13.284 -9.589 -22.882 1.00 54.33 C ATOM 0 H LEU A 101 -15.216 -7.424 -20.215 1.00 22.22 H new ATOM 0 HA LEU A 101 -14.127 -7.101 -22.830 1.00 1.13 H new ATOM 0 HB2 LEU A 101 -15.504 -9.052 -21.333 1.00 74.23 H new ATOM 0 HB3 LEU A 101 -16.588 -8.656 -22.651 1.00 74.23 H new ATOM 0 HG LEU A 101 -15.153 -10.583 -23.158 1.00 32.33 H new ATOM 0 HD11 LEU A 101 -14.357 -9.822 -25.362 1.00 34.40 H new ATOM 0 HD12 LEU A 101 -15.979 -9.190 -24.991 1.00 34.40 H new ATOM 0 HD13 LEU A 101 -14.556 -8.131 -24.845 1.00 34.40 H new ATOM 0 HD21 LEU A 101 -12.740 -10.256 -23.551 1.00 54.33 H new ATOM 0 HD22 LEU A 101 -12.876 -8.582 -22.962 1.00 54.33 H new ATOM 0 HD23 LEU A 101 -13.181 -9.941 -21.856 1.00 54.33 H new ATOM 1613 N ASP A 102 -17.266 -6.157 -22.353 1.00 53.51 N ATOM 1614 CA ASP A 102 -18.331 -5.322 -22.895 1.00 23.45 C ATOM 1615 C ASP A 102 -17.842 -3.893 -23.115 1.00 10.24 C ATOM 1616 O ASP A 102 -18.170 -3.261 -24.119 1.00 33.12 O ATOM 1617 CB ASP A 102 -19.537 -5.321 -21.954 1.00 2.22 C ATOM 1618 CG ASP A 102 -20.281 -6.642 -21.967 1.00 44.12 C ATOM 1619 OD1 ASP A 102 -20.046 -7.446 -22.893 1.00 70.14 O ATOM 1620 OD2 ASP A 102 -21.099 -6.871 -21.051 1.00 22.25 O ATOM 0 H ASP A 102 -17.499 -6.620 -21.474 1.00 53.51 H new ATOM 0 HA ASP A 102 -18.631 -5.738 -23.857 1.00 23.45 H new ATOM 0 HB2 ASP A 102 -19.202 -5.105 -20.939 1.00 2.22 H new ATOM 0 HB3 ASP A 102 -20.218 -4.520 -22.242 1.00 2.22 H new ATOM 1625 N LYS A 103 -17.055 -3.391 -22.170 1.00 63.21 N ATOM 1626 CA LYS A 103 -16.520 -2.037 -22.260 1.00 40.40 C ATOM 1627 C LYS A 103 -15.668 -1.870 -23.514 1.00 54.32 C ATOM 1628 O LYS A 103 -15.868 -0.937 -24.292 1.00 64.11 O ATOM 1629 CB LYS A 103 -15.685 -1.713 -21.018 1.00 51.13 C ATOM 1630 CG LYS A 103 -16.513 -1.240 -19.835 1.00 55.03 C ATOM 1631 CD LYS A 103 -16.505 0.275 -19.719 1.00 14.32 C ATOM 1632 CE LYS A 103 -17.775 0.791 -19.059 1.00 3.43 C ATOM 1633 NZ LYS A 103 -17.497 1.923 -18.133 1.00 43.10 N ATOM 0 H LYS A 103 -16.773 -3.901 -21.333 1.00 63.21 H new ATOM 0 HA LYS A 103 -17.360 -1.345 -22.318 1.00 40.40 H new ATOM 0 HB2 LYS A 103 -15.124 -2.601 -20.726 1.00 51.13 H new ATOM 0 HB3 LYS A 103 -14.956 -0.944 -21.271 1.00 51.13 H new ATOM 0 HG2 LYS A 103 -17.539 -1.592 -19.944 1.00 55.03 H new ATOM 0 HG3 LYS A 103 -16.121 -1.678 -18.917 1.00 55.03 H new ATOM 0 HD2 LYS A 103 -15.638 0.592 -19.139 1.00 14.32 H new ATOM 0 HD3 LYS A 103 -16.404 0.716 -20.711 1.00 14.32 H new ATOM 0 HE2 LYS A 103 -18.478 1.114 -19.827 1.00 3.43 H new ATOM 0 HE3 LYS A 103 -18.254 -0.019 -18.509 1.00 3.43 H new ATOM 0 HZ1 LYS A 103 -18.387 2.247 -17.703 1.00 43.10 H new ATOM 0 HZ2 LYS A 103 -16.846 1.608 -17.386 1.00 43.10 H new ATOM 0 HZ3 LYS A 103 -17.064 2.706 -18.662 1.00 43.10 H new ATOM 1647 N ILE A 104 -14.721 -2.782 -23.706 1.00 73.21 N ATOM 1648 CA ILE A 104 -13.843 -2.737 -24.868 1.00 14.14 C ATOM 1649 C ILE A 104 -14.618 -3.001 -26.154 1.00 12.24 C ATOM 1650 O ILE A 104 -14.224 -2.552 -27.231 1.00 52.22 O ATOM 1651 CB ILE A 104 -12.700 -3.764 -24.751 1.00 23.21 C ATOM 1652 CG1 ILE A 104 -11.884 -3.508 -23.482 1.00 3.43 C ATOM 1653 CG2 ILE A 104 -11.809 -3.706 -25.982 1.00 11.24 C ATOM 1654 CD1 ILE A 104 -11.024 -4.683 -23.070 1.00 31.44 C ATOM 0 H ILE A 104 -14.542 -3.561 -23.072 1.00 73.21 H new ATOM 0 HA ILE A 104 -13.418 -1.734 -24.902 1.00 14.14 H new ATOM 0 HB ILE A 104 -13.132 -4.763 -24.687 1.00 23.21 H new ATOM 0 HG12 ILE A 104 -11.246 -2.638 -23.639 1.00 3.43 H new ATOM 0 HG13 ILE A 104 -12.564 -3.262 -22.666 1.00 3.43 H new ATOM 0 HG21 ILE A 104 -11.006 -4.437 -25.885 1.00 11.24 H new ATOM 0 HG22 ILE A 104 -12.400 -3.932 -26.870 1.00 11.24 H new ATOM 0 HG23 ILE A 104 -11.381 -2.708 -26.075 1.00 11.24 H new ATOM 0 HD11 ILE A 104 -10.474 -4.431 -22.163 1.00 31.44 H new ATOM 0 HD12 ILE A 104 -11.658 -5.549 -22.881 1.00 31.44 H new ATOM 0 HD13 ILE A 104 -10.320 -4.916 -23.869 1.00 31.44 H new